USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 LYS NZ :NH3+ 153:sc= 0.812 (180deg=-0.0126) USER MOD Set 1.2: A 91 ASN : amide:sc= -2.29! C(o=-1.5!,f=-1.6!) USER MOD Set 2.1: A 28 SER OG : rot 93:sc= 0.51 USER MOD Set 2.2: A 73 LYS NZ :NH3+ -107:sc= 2.24 (180deg=-1.08) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -172:sc= 0.858 (180deg=-0.492) USER MOD Set 3.2: A 8 SER OG : rot -150:sc= -0.0789 USER MOD Single : A 3 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.028) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -149:sc= -0.214 (180deg=-0.852) USER MOD Single : A 11 THR OG1 : rot 165:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -3.55! C(o=-3.5!,f=-5.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.57) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 175:sc= -2.78! (180deg=-2.95!) USER MOD Single : A 36 SER OG : rot -38:sc= 1.37 USER MOD Single : A 37 THR OG1 : rot -34:sc= -0.659 USER MOD Single : A 39 LYS NZ :NH3+ -104:sc= -0.708 (180deg=-4.43!) USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= -2.16! (180deg=-5.04!) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0965 USER MOD Single : A 46 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-0.27) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.96 K(o=-0.96,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.669 K(o=0.67,f=-3.6!) USER MOD Single : A 71 THR OG1 : rot 75:sc= 0.639 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 82:sc= 1.17 USER MOD Single : A 85 ASN : amide:sc= -3.22! K(o=-3.2!,f=-0.36) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00625 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= -1.02 (180deg=-1.02) USER MOD Single : A 100 GLN : amide:sc= -1.11! K(o=-1.1!,f=-0.38) USER MOD Single : A 102 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.4!) USER MOD Single : A 104 LYS NZ :NH3+ -169:sc=-0.00395 (180deg=-0.162) USER MOD Single : A 110 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 39.533 1.386 -2.456 1.00 0.00 N ATOM 2 CA VAL A 2 38.457 0.713 -1.749 1.00 0.00 C ATOM 3 C VAL A 2 37.209 0.621 -2.611 1.00 0.00 C ATOM 4 O VAL A 2 37.028 1.396 -3.553 1.00 0.00 O ATOM 5 CB VAL A 2 38.099 1.433 -0.427 1.00 0.00 C ATOM 6 CG1 VAL A 2 39.248 1.361 0.562 1.00 0.00 C ATOM 7 CG2 VAL A 2 37.708 2.882 -0.687 1.00 0.00 C ATOM 0 HA VAL A 2 38.817 -0.290 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 2 37.243 0.920 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 2 38.969 1.875 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 2 39.473 0.318 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 2 40.128 1.839 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 2 37.461 3.367 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 2 38.541 3.405 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 2 36.842 2.912 -1.348 1.00 0.00 H new ATOM 17 N ASN A 3 36.351 -0.332 -2.284 1.00 0.00 N ATOM 18 CA ASN A 3 35.035 -0.427 -2.907 1.00 0.00 C ATOM 19 C ASN A 3 34.085 0.526 -2.188 1.00 0.00 C ATOM 20 O ASN A 3 32.924 0.690 -2.561 1.00 0.00 O ATOM 21 CB ASN A 3 34.517 -1.870 -2.837 1.00 0.00 C ATOM 22 CG ASN A 3 33.283 -2.104 -3.691 1.00 0.00 C ATOM 23 OD1 ASN A 3 33.387 -2.411 -4.878 1.00 0.00 O ATOM 24 ND2 ASN A 3 32.108 -1.991 -3.090 1.00 0.00 N ATOM 0 H ASN A 3 36.541 -1.054 -1.589 1.00 0.00 H new ATOM 0 HA ASN A 3 35.100 -0.148 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 3 35.307 -2.549 -3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 3 34.286 -2.117 -1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 3 31.249 -2.161 -3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 3 32.062 -1.734 -2.104 1.00 0.00 H new ATOM 31 N PHE A 4 34.628 1.161 -1.150 1.00 0.00 N ATOM 32 CA PHE A 4 33.915 2.126 -0.326 1.00 0.00 C ATOM 33 C PHE A 4 32.871 1.425 0.546 1.00 0.00 C ATOM 34 O PHE A 4 33.230 0.726 1.495 1.00 0.00 O ATOM 35 CB PHE A 4 33.294 3.245 -1.186 1.00 0.00 C ATOM 36 CG PHE A 4 32.746 4.403 -0.395 1.00 0.00 C ATOM 37 CD1 PHE A 4 33.594 5.234 0.320 1.00 0.00 C ATOM 38 CD2 PHE A 4 31.384 4.657 -0.365 1.00 0.00 C ATOM 39 CE1 PHE A 4 33.092 6.298 1.048 1.00 0.00 C ATOM 40 CE2 PHE A 4 30.878 5.718 0.360 1.00 0.00 C ATOM 41 CZ PHE A 4 31.733 6.539 1.068 1.00 0.00 C ATOM 0 H PHE A 4 35.594 1.014 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 4 34.632 2.603 0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.050 3.618 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 4 32.492 2.820 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.658 5.049 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 4 30.710 4.017 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.763 6.939 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 4 29.814 5.905 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 4 31.339 7.368 1.637 1.00 0.00 H new ATOM 51 N LYS A 5 31.601 1.556 0.192 1.00 0.00 N ATOM 52 CA LYS A 5 30.512 1.093 1.038 1.00 0.00 C ATOM 53 C LYS A 5 29.187 1.441 0.374 1.00 0.00 C ATOM 54 O LYS A 5 29.167 2.183 -0.614 1.00 0.00 O ATOM 55 CB LYS A 5 30.609 1.776 2.414 1.00 0.00 C ATOM 56 CG LYS A 5 29.590 1.310 3.443 1.00 0.00 C ATOM 57 CD LYS A 5 29.730 2.095 4.737 1.00 0.00 C ATOM 58 CE LYS A 5 28.616 1.773 5.721 1.00 0.00 C ATOM 59 NZ LYS A 5 28.725 2.585 6.961 1.00 0.00 N ATOM 0 H LYS A 5 31.298 1.983 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 5 30.576 0.013 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 5 31.609 1.609 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 5 30.497 2.851 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 5 28.583 1.433 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 5 29.727 0.247 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 5 30.694 1.871 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 5 29.722 3.162 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 5 27.650 1.956 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 5 28.650 0.714 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 27.949 2.338 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 29.636 2.391 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 28.667 3.595 6.721 1.00 0.00 H new ATOM 73 N ASP A 6 28.097 0.881 0.888 1.00 0.00 N ATOM 74 CA ASP A 6 26.760 1.299 0.486 1.00 0.00 C ATOM 75 C ASP A 6 26.607 2.791 0.729 1.00 0.00 C ATOM 76 O ASP A 6 26.558 3.244 1.874 1.00 0.00 O ATOM 77 CB ASP A 6 25.684 0.526 1.259 1.00 0.00 C ATOM 78 CG ASP A 6 25.632 -0.944 0.891 1.00 0.00 C ATOM 79 OD1 ASP A 6 24.981 -1.285 -0.114 1.00 0.00 O ATOM 80 OD2 ASP A 6 26.225 -1.768 1.619 1.00 0.00 O ATOM 0 H ASP A 6 28.114 0.136 1.584 1.00 0.00 H new ATOM 0 HA ASP A 6 26.630 1.083 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 6 25.874 0.621 2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 6 24.711 0.978 1.067 1.00 0.00 H new ATOM 85 N LYS A 7 26.556 3.549 -0.352 1.00 0.00 N ATOM 86 CA LYS A 7 26.558 5.000 -0.270 1.00 0.00 C ATOM 87 C LYS A 7 25.203 5.536 0.178 1.00 0.00 C ATOM 88 O LYS A 7 25.031 5.926 1.333 1.00 0.00 O ATOM 89 CB LYS A 7 26.958 5.603 -1.622 1.00 0.00 C ATOM 90 CG LYS A 7 26.864 7.120 -1.681 1.00 0.00 C ATOM 91 CD LYS A 7 27.222 7.644 -3.060 1.00 0.00 C ATOM 92 CE LYS A 7 26.811 9.098 -3.222 1.00 0.00 C ATOM 93 NZ LYS A 7 25.333 9.263 -3.174 1.00 0.00 N ATOM 0 H LYS A 7 26.512 3.182 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 7 27.291 5.295 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 7 27.981 5.304 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 7 26.320 5.180 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.853 7.434 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 7 27.533 7.557 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 7 28.296 7.547 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 7 26.730 7.038 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 7 27.269 9.695 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 7 27.189 9.479 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 25.085 10.242 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 24.889 8.611 -3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.991 9.052 -2.215 1.00 0.00 H new ATOM 107 N SER A 8 24.248 5.542 -0.730 1.00 0.00 N ATOM 108 CA SER A 8 22.938 6.102 -0.449 1.00 0.00 C ATOM 109 C SER A 8 21.838 5.095 -0.747 1.00 0.00 C ATOM 110 O SER A 8 21.587 4.762 -1.904 1.00 0.00 O ATOM 111 CB SER A 8 22.731 7.370 -1.278 1.00 0.00 C ATOM 112 OG SER A 8 23.815 8.270 -1.110 1.00 0.00 O ATOM 0 H SER A 8 24.353 5.165 -1.672 1.00 0.00 H new ATOM 0 HA SER A 8 22.889 6.351 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 8 22.631 7.108 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 8 21.801 7.855 -0.981 1.00 0.00 H new ATOM 0 HG SER A 8 23.496 9.190 -1.218 1.00 0.00 H new ATOM 118 N MET A 9 21.208 4.598 0.303 1.00 0.00 N ATOM 119 CA MET A 9 20.098 3.672 0.157 1.00 0.00 C ATOM 120 C MET A 9 18.806 4.451 -0.061 1.00 0.00 C ATOM 121 O MET A 9 18.363 5.183 0.825 1.00 0.00 O ATOM 122 CB MET A 9 19.976 2.780 1.396 1.00 0.00 C ATOM 123 CG MET A 9 18.943 1.670 1.252 1.00 0.00 C ATOM 124 SD MET A 9 18.804 0.635 2.726 1.00 0.00 S ATOM 125 CE MET A 9 20.499 0.094 2.930 1.00 0.00 C ATOM 0 H MET A 9 21.447 4.821 1.269 1.00 0.00 H new ATOM 0 HA MET A 9 20.282 3.034 -0.707 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.948 2.335 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.714 3.399 2.254 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.971 2.113 1.033 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.207 1.044 0.400 1.00 0.00 H new ATOM 0 HE1 MET A 9 20.512 -0.899 3.379 1.00 0.00 H new ATOM 0 HE2 MET A 9 20.989 0.059 1.957 1.00 0.00 H new ATOM 0 HE3 MET A 9 21.028 0.792 3.578 1.00 0.00 H new ATOM 135 N PRO A 10 18.193 4.311 -1.249 1.00 0.00 N ATOM 136 CA PRO A 10 16.969 5.036 -1.601 1.00 0.00 C ATOM 137 C PRO A 10 15.808 4.680 -0.683 1.00 0.00 C ATOM 138 O PRO A 10 15.596 3.506 -0.355 1.00 0.00 O ATOM 139 CB PRO A 10 16.672 4.580 -3.038 1.00 0.00 C ATOM 140 CG PRO A 10 17.955 4.021 -3.543 1.00 0.00 C ATOM 141 CD PRO A 10 18.642 3.434 -2.344 1.00 0.00 C ATOM 0 HA PRO A 10 17.096 6.114 -1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.881 3.830 -3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.336 5.414 -3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.778 3.261 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.566 4.797 -4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.350 2.397 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.726 3.446 -2.453 1.00 0.00 H new ATOM 149 N THR A 11 15.057 5.689 -0.269 1.00 0.00 N ATOM 150 CA THR A 11 13.927 5.474 0.613 1.00 0.00 C ATOM 151 C THR A 11 12.732 4.925 -0.165 1.00 0.00 C ATOM 152 O THR A 11 11.867 5.671 -0.631 1.00 0.00 O ATOM 153 CB THR A 11 13.544 6.765 1.370 1.00 0.00 C ATOM 154 OG1 THR A 11 13.562 7.896 0.485 1.00 0.00 O ATOM 155 CG2 THR A 11 14.498 7.011 2.526 1.00 0.00 C ATOM 0 H THR A 11 15.212 6.663 -0.531 1.00 0.00 H new ATOM 0 HA THR A 11 14.224 4.734 1.356 1.00 0.00 H new ATOM 0 HB THR A 11 12.535 6.636 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.098 8.649 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.211 7.925 3.046 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.455 6.170 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.514 7.115 2.144 1.00 0.00 H new ATOM 163 N ALA A 12 12.717 3.606 -0.326 1.00 0.00 N ATOM 164 CA ALA A 12 11.677 2.926 -1.086 1.00 0.00 C ATOM 165 C ALA A 12 10.304 3.132 -0.464 1.00 0.00 C ATOM 166 O ALA A 12 9.316 3.309 -1.171 1.00 0.00 O ATOM 167 CB ALA A 12 11.994 1.443 -1.185 1.00 0.00 C ATOM 0 H ALA A 12 13.422 2.982 0.065 1.00 0.00 H new ATOM 0 HA ALA A 12 11.654 3.358 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.212 0.941 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.952 1.308 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.046 1.014 -0.184 1.00 0.00 H new ATOM 173 N ILE A 13 10.255 3.123 0.864 1.00 0.00 N ATOM 174 CA ILE A 13 9.001 3.285 1.591 1.00 0.00 C ATOM 175 C ILE A 13 8.420 4.671 1.322 1.00 0.00 C ATOM 176 O ILE A 13 7.216 4.828 1.120 1.00 0.00 O ATOM 177 CB ILE A 13 9.185 3.079 3.121 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.573 1.629 3.452 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.917 3.457 3.873 1.00 0.00 C ATOM 180 CD1 ILE A 13 11.020 1.279 3.162 1.00 0.00 C ATOM 0 H ILE A 13 11.073 3.005 1.461 1.00 0.00 H new ATOM 0 HA ILE A 13 8.312 2.519 1.234 1.00 0.00 H new ATOM 0 HB ILE A 13 9.997 3.732 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.373 1.446 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.930 0.956 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.069 3.305 4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.681 4.505 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.091 2.833 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.202 0.237 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.224 1.426 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.675 1.922 3.750 1.00 0.00 H new ATOM 192 N GLU A 14 9.300 5.663 1.292 1.00 0.00 N ATOM 193 CA GLU A 14 8.916 7.038 1.014 1.00 0.00 C ATOM 194 C GLU A 14 8.212 7.151 -0.335 1.00 0.00 C ATOM 195 O GLU A 14 7.126 7.718 -0.437 1.00 0.00 O ATOM 196 CB GLU A 14 10.157 7.924 1.019 1.00 0.00 C ATOM 197 CG GLU A 14 9.871 9.394 0.789 1.00 0.00 C ATOM 198 CD GLU A 14 11.142 10.204 0.695 1.00 0.00 C ATOM 199 OE1 GLU A 14 12.082 9.928 1.474 1.00 0.00 O ATOM 200 OE2 GLU A 14 11.222 11.102 -0.166 1.00 0.00 O ATOM 0 H GLU A 14 10.298 5.536 1.460 1.00 0.00 H new ATOM 0 HA GLU A 14 8.223 7.364 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.667 7.810 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.843 7.574 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.295 9.513 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.256 9.776 1.603 1.00 0.00 H new ATOM 207 N LYS A 15 8.830 6.595 -1.367 1.00 0.00 N ATOM 208 CA LYS A 15 8.290 6.703 -2.714 1.00 0.00 C ATOM 209 C LYS A 15 7.146 5.715 -2.929 1.00 0.00 C ATOM 210 O LYS A 15 6.334 5.877 -3.843 1.00 0.00 O ATOM 211 CB LYS A 15 9.404 6.516 -3.747 1.00 0.00 C ATOM 212 CG LYS A 15 10.502 7.566 -3.621 1.00 0.00 C ATOM 213 CD LYS A 15 9.934 8.975 -3.739 1.00 0.00 C ATOM 214 CE LYS A 15 10.906 10.032 -3.240 1.00 0.00 C ATOM 215 NZ LYS A 15 12.093 10.185 -4.118 1.00 0.00 N ATOM 0 H LYS A 15 9.700 6.068 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 15 7.876 7.703 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.840 5.524 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.977 6.561 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.007 7.454 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.251 7.407 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.684 9.177 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.007 9.039 -3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.389 10.989 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.235 9.770 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.720 10.918 -3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.606 9.282 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.786 10.463 -5.072 1.00 0.00 H new ATOM 229 N ALA A 16 7.071 4.701 -2.075 1.00 0.00 N ATOM 230 CA ALA A 16 5.912 3.823 -2.050 1.00 0.00 C ATOM 231 C ALA A 16 4.713 4.593 -1.511 1.00 0.00 C ATOM 232 O ALA A 16 3.590 4.449 -1.998 1.00 0.00 O ATOM 233 CB ALA A 16 6.182 2.585 -1.203 1.00 0.00 C ATOM 0 H ALA A 16 7.795 4.469 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 16 5.699 3.485 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.299 1.946 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.027 2.036 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.414 2.886 -0.181 1.00 0.00 H new ATOM 239 N LEU A 17 4.971 5.433 -0.513 1.00 0.00 N ATOM 240 CA LEU A 17 3.952 6.323 0.022 1.00 0.00 C ATOM 241 C LEU A 17 3.636 7.422 -0.981 1.00 0.00 C ATOM 242 O LEU A 17 2.573 8.020 -0.936 1.00 0.00 O ATOM 243 CB LEU A 17 4.406 6.946 1.344 1.00 0.00 C ATOM 244 CG LEU A 17 4.587 5.966 2.502 1.00 0.00 C ATOM 245 CD1 LEU A 17 5.063 6.706 3.741 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.288 5.226 2.784 1.00 0.00 C ATOM 0 H LEU A 17 5.881 5.514 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 17 3.054 5.734 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.351 7.463 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.677 7.701 1.640 1.00 0.00 H new ATOM 0 HG LEU A 17 5.342 5.231 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.189 5.999 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.016 7.192 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.326 7.459 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.437 4.533 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.510 5.943 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.985 4.671 1.896 1.00 0.00 H new ATOM 258 N ASP A 18 4.574 7.683 -1.884 1.00 0.00 N ATOM 259 CA ASP A 18 4.362 8.652 -2.953 1.00 0.00 C ATOM 260 C ASP A 18 3.300 8.134 -3.920 1.00 0.00 C ATOM 261 O ASP A 18 2.487 8.902 -4.437 1.00 0.00 O ATOM 262 CB ASP A 18 5.677 8.928 -3.688 1.00 0.00 C ATOM 263 CG ASP A 18 5.514 9.868 -4.865 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.556 11.101 -4.665 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.363 9.378 -6.003 1.00 0.00 O ATOM 0 H ASP A 18 5.491 7.236 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 18 4.011 9.589 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.395 9.354 -2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.095 7.985 -4.039 1.00 0.00 H new ATOM 270 N PHE A 19 3.310 6.825 -4.156 1.00 0.00 N ATOM 271 CA PHE A 19 2.263 6.188 -4.951 1.00 0.00 C ATOM 272 C PHE A 19 0.917 6.290 -4.241 1.00 0.00 C ATOM 273 O PHE A 19 -0.096 6.642 -4.849 1.00 0.00 O ATOM 274 CB PHE A 19 2.567 4.709 -5.194 1.00 0.00 C ATOM 275 CG PHE A 19 3.739 4.444 -6.093 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.753 4.918 -7.396 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.815 3.701 -5.642 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.825 4.659 -8.229 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.887 3.435 -6.471 1.00 0.00 C ATOM 280 CZ PHE A 19 5.892 3.914 -7.765 1.00 0.00 C ATOM 0 H PHE A 19 4.027 6.187 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 19 2.226 6.710 -5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.749 4.228 -4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.684 4.237 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.918 5.495 -7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.817 3.324 -4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.829 5.038 -9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.721 2.853 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.729 3.707 -8.415 1.00 0.00 H new ATOM 290 N ILE A 20 0.924 5.977 -2.951 1.00 0.00 N ATOM 291 CA ILE A 20 -0.298 5.930 -2.155 1.00 0.00 C ATOM 292 C ILE A 20 -0.753 7.330 -1.743 1.00 0.00 C ATOM 293 O ILE A 20 -1.701 7.877 -2.303 1.00 0.00 O ATOM 294 CB ILE A 20 -0.097 5.054 -0.893 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.373 3.652 -1.294 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.383 4.969 -0.077 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.678 2.746 -0.119 1.00 0.00 C ATOM 0 H ILE A 20 1.770 5.750 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.074 5.487 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 20 0.668 5.520 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.395 3.185 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.266 3.742 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.215 4.348 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.682 5.969 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.172 4.528 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.004 1.773 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.468 3.189 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.219 2.623 0.488 1.00 0.00 H new ATOM 309 N GLY A 21 -0.049 7.918 -0.790 1.00 0.00 N ATOM 310 CA GLY A 21 -0.429 9.211 -0.263 1.00 0.00 C ATOM 311 C GLY A 21 0.309 10.349 -0.939 1.00 0.00 C ATOM 312 O GLY A 21 0.834 11.240 -0.271 1.00 0.00 O ATOM 0 H GLY A 21 0.789 7.517 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.502 9.351 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.229 9.237 0.808 1.00 0.00 H new ATOM 316 N GLY A 22 0.355 10.311 -2.263 1.00 0.00 N ATOM 317 CA GLY A 22 1.036 11.349 -3.012 1.00 0.00 C ATOM 318 C GLY A 22 0.108 12.473 -3.416 1.00 0.00 C ATOM 319 O GLY A 22 0.331 13.630 -3.060 1.00 0.00 O ATOM 0 H GLY A 22 -0.068 9.579 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.850 11.753 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.485 10.914 -3.905 1.00 0.00 H new ATOM 323 N MET A 23 -0.940 12.136 -4.155 1.00 0.00 N ATOM 324 CA MET A 23 -1.907 13.127 -4.610 1.00 0.00 C ATOM 325 C MET A 23 -2.962 13.349 -3.534 1.00 0.00 C ATOM 326 O MET A 23 -3.934 12.598 -3.438 1.00 0.00 O ATOM 327 CB MET A 23 -2.568 12.678 -5.916 1.00 0.00 C ATOM 328 CG MET A 23 -1.574 12.363 -7.023 1.00 0.00 C ATOM 329 SD MET A 23 -0.514 13.764 -7.430 1.00 0.00 S ATOM 330 CE MET A 23 0.570 13.013 -8.642 1.00 0.00 C ATOM 0 H MET A 23 -1.143 11.182 -4.453 1.00 0.00 H new ATOM 0 HA MET A 23 -1.385 14.065 -4.798 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.175 11.794 -5.721 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.245 13.460 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.953 11.520 -6.719 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.117 12.053 -7.916 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.289 13.752 -8.995 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.102 12.178 -8.186 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.021 12.651 -9.484 1.00 0.00 H new ATOM 340 N ASN A 24 -2.761 14.375 -2.723 1.00 0.00 N ATOM 341 CA ASN A 24 -3.584 14.584 -1.541 1.00 0.00 C ATOM 342 C ASN A 24 -4.377 15.877 -1.637 1.00 0.00 C ATOM 343 O ASN A 24 -3.901 16.874 -2.184 1.00 0.00 O ATOM 344 CB ASN A 24 -2.705 14.613 -0.290 1.00 0.00 C ATOM 345 CG ASN A 24 -1.918 13.327 -0.099 1.00 0.00 C ATOM 346 OD1 ASN A 24 -2.364 12.244 -0.484 1.00 0.00 O ATOM 347 ND2 ASN A 24 -0.748 13.433 0.512 1.00 0.00 N ATOM 0 H ASN A 24 -2.034 15.077 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.290 13.756 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.012 15.452 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.331 14.785 0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.182 12.601 0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.412 14.347 0.816 1.00 0.00 H new ATOM 354 N THR A 25 -5.586 15.848 -1.100 1.00 0.00 N ATOM 355 CA THR A 25 -6.462 17.003 -1.091 1.00 0.00 C ATOM 356 C THR A 25 -7.590 16.773 -0.087 1.00 0.00 C ATOM 357 O THR A 25 -7.639 15.731 0.565 1.00 0.00 O ATOM 358 CB THR A 25 -7.043 17.269 -2.500 1.00 0.00 C ATOM 359 OG1 THR A 25 -7.804 18.485 -2.515 1.00 0.00 O ATOM 360 CG2 THR A 25 -7.919 16.114 -2.953 1.00 0.00 C ATOM 0 H THR A 25 -5.986 15.020 -0.658 1.00 0.00 H new ATOM 0 HA THR A 25 -5.885 17.880 -0.797 1.00 0.00 H new ATOM 0 HB THR A 25 -6.205 17.366 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.161 18.636 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.315 16.326 -3.946 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.327 15.199 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.744 15.987 -2.253 1.00 0.00 H new ATOM 368 N SER A 26 -8.501 17.728 0.023 1.00 0.00 N ATOM 369 CA SER A 26 -9.599 17.635 0.974 1.00 0.00 C ATOM 370 C SER A 26 -10.773 16.860 0.367 1.00 0.00 C ATOM 371 O SER A 26 -11.933 17.265 0.482 1.00 0.00 O ATOM 372 CB SER A 26 -10.038 19.042 1.387 1.00 0.00 C ATOM 373 OG SER A 26 -8.932 19.799 1.869 1.00 0.00 O ATOM 0 H SER A 26 -8.501 18.580 -0.537 1.00 0.00 H new ATOM 0 HA SER A 26 -9.260 17.094 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.489 19.551 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.803 18.976 2.160 1.00 0.00 H new ATOM 0 HG SER A 26 -9.236 20.695 2.125 1.00 0.00 H new ATOM 379 N ALA A 27 -10.454 15.735 -0.259 1.00 0.00 N ATOM 380 CA ALA A 27 -11.437 14.902 -0.937 1.00 0.00 C ATOM 381 C ALA A 27 -10.787 13.587 -1.350 1.00 0.00 C ATOM 382 O ALA A 27 -9.859 13.128 -0.694 1.00 0.00 O ATOM 383 CB ALA A 27 -11.991 15.627 -2.157 1.00 0.00 C ATOM 0 H ALA A 27 -9.502 15.373 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.264 14.695 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.725 14.993 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.467 16.556 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.178 15.851 -2.847 1.00 0.00 H new ATOM 389 N SER A 28 -11.275 12.983 -2.425 1.00 0.00 N ATOM 390 CA SER A 28 -10.653 11.827 -3.013 1.00 0.00 C ATOM 391 C SER A 28 -10.688 12.033 -4.495 1.00 0.00 C ATOM 392 O SER A 28 -11.279 11.285 -5.238 1.00 0.00 O ATOM 393 CB SER A 28 -11.387 10.577 -2.602 1.00 0.00 C ATOM 394 OG SER A 28 -10.937 9.421 -3.294 1.00 0.00 O ATOM 0 H SER A 28 -12.119 13.291 -2.909 1.00 0.00 H new ATOM 0 HA SER A 28 -9.624 11.705 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.263 10.424 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.453 10.711 -2.783 1.00 0.00 H new ATOM 0 HG SER A 28 -10.234 8.981 -2.772 1.00 0.00 H new ATOM 400 N VAL A 29 -10.108 13.139 -4.863 1.00 0.00 N ATOM 401 CA VAL A 29 -10.030 13.598 -6.252 1.00 0.00 C ATOM 402 C VAL A 29 -9.610 12.491 -7.228 1.00 0.00 C ATOM 403 O VAL A 29 -10.213 12.375 -8.295 1.00 0.00 O ATOM 404 CB VAL A 29 -9.096 14.820 -6.378 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.709 15.087 -7.829 1.00 0.00 C ATOM 406 CG2 VAL A 29 -9.767 16.047 -5.779 1.00 0.00 C ATOM 0 H VAL A 29 -9.660 13.774 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.040 13.895 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.181 14.601 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.051 15.955 -7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.192 14.217 -8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.607 15.280 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.103 16.906 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.697 16.249 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.983 15.866 -4.726 1.00 0.00 H new ATOM 416 N PRO A 30 -8.581 11.662 -6.909 1.00 0.00 N ATOM 417 CA PRO A 30 -8.284 10.464 -7.709 1.00 0.00 C ATOM 418 C PRO A 30 -9.540 9.619 -7.934 1.00 0.00 C ATOM 419 O PRO A 30 -9.742 9.058 -9.015 1.00 0.00 O ATOM 420 CB PRO A 30 -7.267 9.713 -6.849 1.00 0.00 C ATOM 421 CG PRO A 30 -6.577 10.776 -6.068 1.00 0.00 C ATOM 422 CD PRO A 30 -7.615 11.831 -5.799 1.00 0.00 C ATOM 0 HA PRO A 30 -7.913 10.702 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.757 8.994 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.563 9.154 -7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.175 10.377 -5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.737 11.188 -6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.090 11.687 -4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.179 12.830 -5.796 1.00 0.00 H new ATOM 430 N HIS A 31 -10.371 9.555 -6.894 1.00 0.00 N ATOM 431 CA HIS A 31 -11.700 8.936 -6.928 1.00 0.00 C ATOM 432 C HIS A 31 -11.620 7.418 -7.098 1.00 0.00 C ATOM 433 O HIS A 31 -11.929 6.648 -6.187 1.00 0.00 O ATOM 434 CB HIS A 31 -12.566 9.505 -8.069 1.00 0.00 C ATOM 435 CG HIS A 31 -13.042 10.914 -7.874 1.00 0.00 C ATOM 436 ND1 HIS A 31 -13.080 11.838 -8.897 1.00 0.00 N ATOM 437 CD2 HIS A 31 -13.541 11.547 -6.785 1.00 0.00 C ATOM 438 CE1 HIS A 31 -13.581 12.973 -8.449 1.00 0.00 C ATOM 439 NE2 HIS A 31 -13.870 12.824 -7.171 1.00 0.00 N ATOM 0 H HIS A 31 -10.134 9.942 -5.980 1.00 0.00 H new ATOM 0 HA HIS A 31 -12.160 9.169 -5.968 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.993 9.458 -8.995 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -13.435 8.860 -8.199 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.658 11.126 -5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.729 13.871 -9.030 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -14.273 13.541 -6.567 1.00 0.00 H new ATOM 448 N SER A 32 -11.206 7.013 -8.292 1.00 0.00 N ATOM 449 CA SER A 32 -11.216 5.624 -8.715 1.00 0.00 C ATOM 450 C SER A 32 -9.894 4.938 -8.428 1.00 0.00 C ATOM 451 O SER A 32 -9.851 3.834 -7.879 1.00 0.00 O ATOM 452 CB SER A 32 -11.415 5.583 -10.215 1.00 0.00 C ATOM 453 OG SER A 32 -12.491 6.415 -10.623 1.00 0.00 O ATOM 0 H SER A 32 -10.849 7.652 -9.002 1.00 0.00 H new ATOM 0 HA SER A 32 -12.012 5.115 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.499 5.902 -10.713 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.608 4.557 -10.529 1.00 0.00 H new ATOM 0 HG SER A 32 -12.591 6.367 -11.597 1.00 0.00 H new ATOM 459 N MET A 33 -8.824 5.609 -8.842 1.00 0.00 N ATOM 460 CA MET A 33 -7.480 5.050 -8.844 1.00 0.00 C ATOM 461 C MET A 33 -7.103 4.506 -7.469 1.00 0.00 C ATOM 462 O MET A 33 -6.286 3.586 -7.362 1.00 0.00 O ATOM 463 CB MET A 33 -6.492 6.133 -9.299 1.00 0.00 C ATOM 464 CG MET A 33 -5.041 5.686 -9.354 1.00 0.00 C ATOM 465 SD MET A 33 -3.981 6.709 -8.319 1.00 0.00 S ATOM 466 CE MET A 33 -4.853 6.551 -6.769 1.00 0.00 C ATOM 0 H MET A 33 -8.868 6.567 -9.189 1.00 0.00 H new ATOM 0 HA MET A 33 -7.443 4.210 -9.538 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.788 6.483 -10.288 1.00 0.00 H new ATOM 0 HB3 MET A 33 -6.570 6.984 -8.623 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.969 4.647 -9.032 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.688 5.725 -10.385 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.289 7.051 -5.982 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.838 7.010 -6.857 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.965 5.496 -6.521 1.00 0.00 H new ATOM 476 N ASP A 34 -7.708 5.094 -6.434 1.00 0.00 N ATOM 477 CA ASP A 34 -7.535 4.669 -5.045 1.00 0.00 C ATOM 478 C ASP A 34 -7.535 3.152 -4.945 1.00 0.00 C ATOM 479 O ASP A 34 -6.603 2.541 -4.416 1.00 0.00 O ATOM 480 CB ASP A 34 -8.689 5.207 -4.183 1.00 0.00 C ATOM 481 CG ASP A 34 -8.890 6.710 -4.272 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.745 7.278 -5.374 1.00 0.00 O ATOM 483 OD2 ASP A 34 -9.230 7.320 -3.233 1.00 0.00 O ATOM 0 H ASP A 34 -8.339 5.888 -6.540 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.582 5.061 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.612 4.711 -4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.505 4.938 -3.143 1.00 0.00 H new ATOM 488 N GLU A 35 -8.590 2.565 -5.482 1.00 0.00 N ATOM 489 CA GLU A 35 -8.792 1.132 -5.449 1.00 0.00 C ATOM 490 C GLU A 35 -7.653 0.375 -6.125 1.00 0.00 C ATOM 491 O GLU A 35 -6.931 -0.377 -5.476 1.00 0.00 O ATOM 492 CB GLU A 35 -10.111 0.800 -6.138 1.00 0.00 C ATOM 493 CG GLU A 35 -11.313 0.864 -5.219 1.00 0.00 C ATOM 494 CD GLU A 35 -11.278 -0.232 -4.181 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.330 -1.423 -4.565 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.158 0.079 -2.983 1.00 0.00 O ATOM 0 H GLU A 35 -9.335 3.076 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.816 0.818 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.262 1.492 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.045 -0.200 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.342 1.834 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.227 0.780 -5.807 1.00 0.00 H new ATOM 503 N SER A 36 -7.495 0.592 -7.422 1.00 0.00 N ATOM 504 CA SER A 36 -6.564 -0.190 -8.224 1.00 0.00 C ATOM 505 C SER A 36 -5.117 -0.031 -7.767 1.00 0.00 C ATOM 506 O SER A 36 -4.446 -1.015 -7.451 1.00 0.00 O ATOM 507 CB SER A 36 -6.681 0.222 -9.688 1.00 0.00 C ATOM 508 OG SER A 36 -8.019 0.132 -10.141 1.00 0.00 O ATOM 0 H SER A 36 -8.002 1.307 -7.944 1.00 0.00 H new ATOM 0 HA SER A 36 -6.832 -1.239 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.321 1.243 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.044 -0.416 -10.300 1.00 0.00 H new ATOM 0 HG SER A 36 -8.447 -0.655 -9.744 1.00 0.00 H new ATOM 514 N THR A 37 -4.650 1.206 -7.723 1.00 0.00 N ATOM 515 CA THR A 37 -3.243 1.484 -7.494 1.00 0.00 C ATOM 516 C THR A 37 -2.810 1.137 -6.071 1.00 0.00 C ATOM 517 O THR A 37 -1.852 0.385 -5.870 1.00 0.00 O ATOM 518 CB THR A 37 -2.939 2.961 -7.793 1.00 0.00 C ATOM 519 OG1 THR A 37 -3.310 3.258 -9.145 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.465 3.283 -7.581 1.00 0.00 C ATOM 0 H THR A 37 -5.229 2.037 -7.844 1.00 0.00 H new ATOM 0 HA THR A 37 -2.672 0.849 -8.172 1.00 0.00 H new ATOM 0 HB THR A 37 -3.517 3.575 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.146 2.473 -9.709 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.287 4.335 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.193 3.078 -6.545 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.859 2.666 -8.244 1.00 0.00 H new ATOM 528 N ALA A 38 -3.529 1.656 -5.090 1.00 0.00 N ATOM 529 CA ALA A 38 -3.111 1.529 -3.704 1.00 0.00 C ATOM 530 C ALA A 38 -3.364 0.123 -3.159 1.00 0.00 C ATOM 531 O ALA A 38 -2.497 -0.454 -2.498 1.00 0.00 O ATOM 532 CB ALA A 38 -3.798 2.582 -2.861 1.00 0.00 C ATOM 0 H ALA A 38 -4.401 2.167 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.034 1.691 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.480 2.481 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.531 3.573 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.878 2.451 -2.924 1.00 0.00 H new ATOM 538 N LYS A 39 -4.538 -0.442 -3.446 1.00 0.00 N ATOM 539 CA LYS A 39 -4.859 -1.785 -2.973 1.00 0.00 C ATOM 540 C LYS A 39 -3.970 -2.814 -3.663 1.00 0.00 C ATOM 541 O LYS A 39 -3.589 -3.822 -3.064 1.00 0.00 O ATOM 542 CB LYS A 39 -6.337 -2.127 -3.214 1.00 0.00 C ATOM 543 CG LYS A 39 -6.703 -3.556 -2.823 1.00 0.00 C ATOM 544 CD LYS A 39 -8.143 -3.922 -3.183 1.00 0.00 C ATOM 545 CE LYS A 39 -9.157 -3.286 -2.242 1.00 0.00 C ATOM 546 NZ LYS A 39 -9.381 -1.848 -2.532 1.00 0.00 N ATOM 0 H LYS A 39 -5.272 0.004 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.676 -1.811 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.959 -1.433 -2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.569 -1.976 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.023 -4.248 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.559 -3.682 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.351 -3.605 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.257 -5.006 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.104 -3.820 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.812 -3.396 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.888 -1.270 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.012 -1.623 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.400 -1.642 -2.500 1.00 0.00 H new ATOM 560 N GLY A 40 -3.631 -2.541 -4.919 1.00 0.00 N ATOM 561 CA GLY A 40 -2.793 -3.445 -5.679 1.00 0.00 C ATOM 562 C GLY A 40 -1.423 -3.618 -5.058 1.00 0.00 C ATOM 563 O GLY A 40 -0.970 -4.747 -4.849 1.00 0.00 O ATOM 0 H GLY A 40 -3.924 -1.705 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.282 -4.416 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.684 -3.067 -6.696 1.00 0.00 H new ATOM 567 N ILE A 41 -0.767 -2.502 -4.752 1.00 0.00 N ATOM 568 CA ILE A 41 0.565 -2.535 -4.157 1.00 0.00 C ATOM 569 C ILE A 41 0.551 -3.271 -2.815 1.00 0.00 C ATOM 570 O ILE A 41 1.409 -4.119 -2.554 1.00 0.00 O ATOM 571 CB ILE A 41 1.135 -1.107 -3.970 1.00 0.00 C ATOM 572 CG1 ILE A 41 1.391 -0.459 -5.338 1.00 0.00 C ATOM 573 CG2 ILE A 41 2.413 -1.141 -3.138 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.960 0.942 -5.260 1.00 0.00 C ATOM 0 H ILE A 41 -1.136 -1.564 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 41 1.212 -3.077 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 41 0.402 -0.506 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.078 -1.088 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.455 -0.429 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.797 -0.128 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.198 -1.565 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.159 -1.755 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.112 1.330 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.265 1.588 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.914 0.919 -4.732 1.00 0.00 H new ATOM 586 N LEU A 42 -0.439 -2.962 -1.980 1.00 0.00 N ATOM 587 CA LEU A 42 -0.566 -3.595 -0.668 1.00 0.00 C ATOM 588 C LEU A 42 -0.689 -5.113 -0.795 1.00 0.00 C ATOM 589 O LEU A 42 -0.033 -5.866 -0.069 1.00 0.00 O ATOM 590 CB LEU A 42 -1.782 -3.038 0.078 1.00 0.00 C ATOM 591 CG LEU A 42 -1.719 -1.547 0.413 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.000 -1.109 1.100 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.512 -1.243 1.293 1.00 0.00 C ATOM 0 H LEU A 42 -1.165 -2.277 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 42 0.338 -3.369 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.672 -3.220 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.905 -3.597 1.006 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.612 -0.989 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.943 -0.046 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.848 -1.290 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.131 -1.676 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.486 -0.177 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.587 -1.809 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.401 -1.525 0.768 1.00 0.00 H new ATOM 605 N LYS A 43 -1.517 -5.560 -1.728 1.00 0.00 N ATOM 606 CA LYS A 43 -1.730 -6.988 -1.932 1.00 0.00 C ATOM 607 C LYS A 43 -0.497 -7.654 -2.527 1.00 0.00 C ATOM 608 O LYS A 43 -0.208 -8.814 -2.227 1.00 0.00 O ATOM 609 CB LYS A 43 -2.925 -7.237 -2.845 1.00 0.00 C ATOM 610 CG LYS A 43 -4.265 -6.880 -2.229 1.00 0.00 C ATOM 611 CD LYS A 43 -5.425 -7.197 -3.169 1.00 0.00 C ATOM 612 CE LYS A 43 -5.632 -8.697 -3.369 1.00 0.00 C ATOM 613 NZ LYS A 43 -4.588 -9.318 -4.230 1.00 0.00 N ATOM 0 H LYS A 43 -2.051 -4.958 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.928 -7.424 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.794 -6.661 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.937 -8.289 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.393 -7.428 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.279 -5.819 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.340 -6.759 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.242 -6.728 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.635 -9.191 -2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.612 -8.867 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.036 -9.977 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.088 -8.576 -4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.910 -9.836 -3.635 1.00 0.00 H new ATOM 627 N TYR A 44 0.221 -6.929 -3.374 1.00 0.00 N ATOM 628 CA TYR A 44 1.407 -7.469 -4.023 1.00 0.00 C ATOM 629 C TYR A 44 2.482 -7.771 -2.984 1.00 0.00 C ATOM 630 O TYR A 44 3.137 -8.813 -3.035 1.00 0.00 O ATOM 631 CB TYR A 44 1.944 -6.492 -5.073 1.00 0.00 C ATOM 632 CG TYR A 44 3.005 -7.095 -5.966 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.650 -7.915 -7.030 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.356 -6.855 -5.747 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.609 -8.481 -7.847 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.322 -7.416 -6.564 1.00 0.00 C ATOM 637 CZ TYR A 44 4.943 -8.228 -7.612 1.00 0.00 C ATOM 638 OH TYR A 44 5.898 -8.795 -8.425 1.00 0.00 O ATOM 0 H TYR A 44 0.003 -5.965 -3.627 1.00 0.00 H new ATOM 0 HA TYR A 44 1.132 -8.395 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.116 -6.142 -5.690 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.357 -5.619 -4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.606 -8.113 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.657 -6.221 -4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.315 -9.119 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.368 -7.219 -6.382 1.00 0.00 H new ATOM 0 HH TYR A 44 5.529 -8.921 -9.324 1.00 0.00 H new ATOM 648 N LEU A 45 2.641 -6.858 -2.036 1.00 0.00 N ATOM 649 CA LEU A 45 3.604 -7.037 -0.962 1.00 0.00 C ATOM 650 C LEU A 45 3.206 -8.214 -0.079 1.00 0.00 C ATOM 651 O LEU A 45 4.049 -9.031 0.297 1.00 0.00 O ATOM 652 CB LEU A 45 3.714 -5.757 -0.132 1.00 0.00 C ATOM 653 CG LEU A 45 4.203 -4.529 -0.902 1.00 0.00 C ATOM 654 CD1 LEU A 45 4.244 -3.312 0.005 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.573 -4.787 -1.513 1.00 0.00 C ATOM 0 H LEU A 45 2.114 -5.986 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 45 4.579 -7.252 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.737 -5.534 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.393 -5.939 0.701 1.00 0.00 H new ATOM 0 HG LEU A 45 3.500 -4.331 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.594 -2.448 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.244 -3.112 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.923 -3.501 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.902 -3.901 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.287 -5.014 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.512 -5.631 -2.200 1.00 0.00 H new ATOM 667 N HIS A 46 1.915 -8.309 0.227 1.00 0.00 N ATOM 668 CA HIS A 46 1.393 -9.415 1.023 1.00 0.00 C ATOM 669 C HIS A 46 1.626 -10.747 0.311 1.00 0.00 C ATOM 670 O HIS A 46 1.893 -11.765 0.953 1.00 0.00 O ATOM 671 CB HIS A 46 -0.105 -9.222 1.285 1.00 0.00 C ATOM 672 CG HIS A 46 -0.705 -10.259 2.190 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.530 -11.268 1.743 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.602 -10.429 3.530 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.909 -12.012 2.766 1.00 0.00 C ATOM 676 NE2 HIS A 46 -1.361 -11.525 3.861 1.00 0.00 N ATOM 0 H HIS A 46 1.210 -7.632 -0.065 1.00 0.00 H new ATOM 0 HA HIS A 46 1.922 -9.429 1.976 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.263 -8.237 1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.635 -9.235 0.332 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.030 -9.817 4.211 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.558 -12.874 2.714 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.481 -11.901 4.802 1.00 0.00 H new ATOM 685 N ASP A 47 1.521 -10.724 -1.015 1.00 0.00 N ATOM 686 CA ASP A 47 1.725 -11.917 -1.831 1.00 0.00 C ATOM 687 C ASP A 47 3.173 -12.385 -1.735 1.00 0.00 C ATOM 688 O ASP A 47 3.444 -13.578 -1.588 1.00 0.00 O ATOM 689 CB ASP A 47 1.360 -11.636 -3.292 1.00 0.00 C ATOM 690 CG ASP A 47 1.431 -12.875 -4.162 1.00 0.00 C ATOM 691 OD1 ASP A 47 0.424 -13.607 -4.241 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.487 -13.114 -4.789 1.00 0.00 O ATOM 0 H ASP A 47 1.294 -9.886 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 47 1.075 -12.706 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.352 -11.223 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.034 -10.878 -3.691 1.00 0.00 H new ATOM 697 N LEU A 48 4.099 -11.434 -1.806 1.00 0.00 N ATOM 698 CA LEU A 48 5.519 -11.738 -1.663 1.00 0.00 C ATOM 699 C LEU A 48 5.818 -12.241 -0.253 1.00 0.00 C ATOM 700 O LEU A 48 6.607 -13.168 -0.065 1.00 0.00 O ATOM 701 CB LEU A 48 6.367 -10.502 -1.968 1.00 0.00 C ATOM 702 CG LEU A 48 6.227 -9.946 -3.387 1.00 0.00 C ATOM 703 CD1 LEU A 48 7.083 -8.703 -3.554 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.612 -11.001 -4.415 1.00 0.00 C ATOM 0 H LEU A 48 3.892 -10.447 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 48 5.773 -12.521 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.102 -9.717 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.414 -10.748 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 48 5.184 -9.673 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.973 -8.319 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.763 -7.943 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.128 -8.954 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.506 -10.587 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.647 -11.304 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.959 -11.867 -4.309 1.00 0.00 H new ATOM 716 N GLY A 49 5.182 -11.624 0.731 1.00 0.00 N ATOM 717 CA GLY A 49 5.351 -12.056 2.105 1.00 0.00 C ATOM 718 C GLY A 49 5.665 -10.909 3.044 1.00 0.00 C ATOM 719 O GLY A 49 6.124 -11.127 4.164 1.00 0.00 O ATOM 0 H GLY A 49 4.552 -10.832 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.441 -12.555 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.154 -12.791 2.154 1.00 0.00 H new ATOM 723 N VAL A 50 5.417 -9.688 2.590 1.00 0.00 N ATOM 724 CA VAL A 50 5.680 -8.505 3.396 1.00 0.00 C ATOM 725 C VAL A 50 4.388 -7.721 3.643 1.00 0.00 C ATOM 726 O VAL A 50 3.965 -6.923 2.811 1.00 0.00 O ATOM 727 CB VAL A 50 6.720 -7.578 2.723 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.060 -6.401 3.624 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.978 -8.353 2.359 1.00 0.00 C ATOM 0 H VAL A 50 5.033 -9.491 1.666 1.00 0.00 H new ATOM 0 HA VAL A 50 6.085 -8.848 4.348 1.00 0.00 H new ATOM 0 HB VAL A 50 6.280 -7.189 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.793 -5.764 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.157 -5.825 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.474 -6.769 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.695 -7.681 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.418 -8.778 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.723 -9.156 1.667 1.00 0.00 H new ATOM 739 N PRO A 51 3.720 -7.978 4.774 1.00 0.00 N ATOM 740 CA PRO A 51 2.520 -7.258 5.162 1.00 0.00 C ATOM 741 C PRO A 51 2.829 -6.059 6.064 1.00 0.00 C ATOM 742 O PRO A 51 3.829 -6.051 6.787 1.00 0.00 O ATOM 743 CB PRO A 51 1.739 -8.326 5.922 1.00 0.00 C ATOM 744 CG PRO A 51 2.783 -9.204 6.546 1.00 0.00 C ATOM 745 CD PRO A 51 4.065 -9.008 5.764 1.00 0.00 C ATOM 0 HA PRO A 51 1.986 -6.830 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.095 -7.879 6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.095 -8.895 5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.929 -8.942 7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.473 -10.248 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.881 -8.684 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.386 -9.933 5.284 1.00 0.00 H new ATOM 753 N VAL A 52 1.976 -5.047 6.017 1.00 0.00 N ATOM 754 CA VAL A 52 2.165 -3.853 6.830 1.00 0.00 C ATOM 755 C VAL A 52 0.967 -3.621 7.746 1.00 0.00 C ATOM 756 O VAL A 52 -0.163 -3.965 7.401 1.00 0.00 O ATOM 757 CB VAL A 52 2.401 -2.598 5.959 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.721 -2.708 5.210 1.00 0.00 C ATOM 759 CG2 VAL A 52 1.247 -2.385 4.986 1.00 0.00 C ATOM 0 H VAL A 52 1.146 -5.028 5.425 1.00 0.00 H new ATOM 0 HA VAL A 52 3.054 -4.021 7.438 1.00 0.00 H new ATOM 0 HB VAL A 52 2.450 -1.732 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.870 -1.816 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.538 -2.801 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.701 -3.587 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.437 -1.496 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.157 -3.253 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.320 -2.254 5.544 1.00 0.00 H new ATOM 769 N SER A 53 1.224 -3.049 8.914 1.00 0.00 N ATOM 770 CA SER A 53 0.171 -2.764 9.874 1.00 0.00 C ATOM 771 C SER A 53 -0.522 -1.445 9.536 1.00 0.00 C ATOM 772 O SER A 53 0.139 -0.437 9.266 1.00 0.00 O ATOM 773 CB SER A 53 0.764 -2.703 11.282 1.00 0.00 C ATOM 774 OG SER A 53 1.562 -3.848 11.548 1.00 0.00 O ATOM 0 H SER A 53 2.157 -2.773 9.219 1.00 0.00 H new ATOM 0 HA SER A 53 -0.571 -3.561 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.368 -1.802 11.387 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.039 -2.636 12.016 1.00 0.00 H new ATOM 0 HG SER A 53 1.932 -3.786 12.453 1.00 0.00 H new ATOM 780 N PRO A 54 -1.865 -1.434 9.549 1.00 0.00 N ATOM 781 CA PRO A 54 -2.664 -0.242 9.236 1.00 0.00 C ATOM 782 C PRO A 54 -2.322 0.943 10.134 1.00 0.00 C ATOM 783 O PRO A 54 -2.414 2.096 9.715 1.00 0.00 O ATOM 784 CB PRO A 54 -4.102 -0.689 9.493 1.00 0.00 C ATOM 785 CG PRO A 54 -4.069 -2.173 9.379 1.00 0.00 C ATOM 786 CD PRO A 54 -2.713 -2.596 9.865 1.00 0.00 C ATOM 0 HA PRO A 54 -2.482 0.102 8.218 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.442 -0.376 10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.787 -0.252 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.858 -2.628 9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.230 -2.489 8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.718 -2.813 10.933 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.367 -3.497 9.359 1.00 0.00 H new ATOM 794 N GLU A 55 -1.930 0.640 11.369 1.00 0.00 N ATOM 795 CA GLU A 55 -1.548 1.651 12.355 1.00 0.00 C ATOM 796 C GLU A 55 -0.488 2.599 11.796 1.00 0.00 C ATOM 797 O GLU A 55 -0.569 3.815 11.975 1.00 0.00 O ATOM 798 CB GLU A 55 -1.014 0.957 13.608 1.00 0.00 C ATOM 799 CG GLU A 55 -0.720 1.890 14.767 1.00 0.00 C ATOM 800 CD GLU A 55 -0.280 1.139 16.006 1.00 0.00 C ATOM 801 OE1 GLU A 55 0.922 0.840 16.134 1.00 0.00 O ATOM 802 OE2 GLU A 55 -1.144 0.818 16.845 1.00 0.00 O ATOM 0 H GLU A 55 -1.868 -0.317 11.717 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.429 2.242 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.741 0.212 13.933 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.101 0.420 13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.058 2.595 14.476 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.611 2.475 14.996 1.00 0.00 H new ATOM 809 N VAL A 56 0.489 2.026 11.102 1.00 0.00 N ATOM 810 CA VAL A 56 1.583 2.801 10.530 1.00 0.00 C ATOM 811 C VAL A 56 1.075 3.677 9.390 1.00 0.00 C ATOM 812 O VAL A 56 1.496 4.826 9.232 1.00 0.00 O ATOM 813 CB VAL A 56 2.699 1.878 9.997 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.939 2.683 9.642 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.031 0.796 11.012 1.00 0.00 C ATOM 0 H VAL A 56 0.545 1.024 10.922 1.00 0.00 H new ATOM 0 HA VAL A 56 1.991 3.429 11.322 1.00 0.00 H new ATOM 0 HB VAL A 56 2.337 1.394 9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.713 2.013 9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.690 3.414 8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.304 3.200 10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.820 0.156 10.617 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.369 1.258 11.939 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.142 0.197 11.209 1.00 0.00 H new ATOM 825 N VAL A 57 0.157 3.122 8.609 1.00 0.00 N ATOM 826 CA VAL A 57 -0.428 3.831 7.478 1.00 0.00 C ATOM 827 C VAL A 57 -1.264 5.012 7.963 1.00 0.00 C ATOM 828 O VAL A 57 -1.136 6.125 7.450 1.00 0.00 O ATOM 829 CB VAL A 57 -1.312 2.893 6.625 1.00 0.00 C ATOM 830 CG1 VAL A 57 -1.859 3.622 5.408 1.00 0.00 C ATOM 831 CG2 VAL A 57 -0.531 1.656 6.208 1.00 0.00 C ATOM 0 H VAL A 57 -0.201 2.176 8.740 1.00 0.00 H new ATOM 0 HA VAL A 57 0.392 4.196 6.859 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.158 2.575 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.478 2.941 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.461 4.471 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.031 3.977 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.170 1.007 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.337 1.955 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.200 1.118 7.096 1.00 0.00 H new ATOM 841 N VAL A 58 -2.105 4.762 8.963 1.00 0.00 N ATOM 842 CA VAL A 58 -2.954 5.804 9.532 1.00 0.00 C ATOM 843 C VAL A 58 -2.103 6.936 10.099 1.00 0.00 C ATOM 844 O VAL A 58 -2.381 8.110 9.862 1.00 0.00 O ATOM 845 CB VAL A 58 -3.881 5.249 10.640 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.710 6.366 11.262 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.786 4.162 10.081 1.00 0.00 C ATOM 0 H VAL A 58 -2.217 3.845 9.396 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.579 6.186 8.725 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.257 4.813 11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.354 5.952 12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.046 7.111 11.700 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.324 6.835 10.493 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.431 3.783 10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.399 4.575 9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.177 3.348 9.688 1.00 0.00 H new ATOM 857 N ALA A 59 -1.044 6.569 10.819 1.00 0.00 N ATOM 858 CA ALA A 59 -0.132 7.547 11.399 1.00 0.00 C ATOM 859 C ALA A 59 0.477 8.436 10.322 1.00 0.00 C ATOM 860 O ALA A 59 0.560 9.654 10.479 1.00 0.00 O ATOM 861 CB ALA A 59 0.968 6.851 12.182 1.00 0.00 C ATOM 0 H ALA A 59 -0.798 5.598 11.014 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.707 8.176 12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.639 7.597 12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.526 6.261 12.984 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.529 6.195 11.516 1.00 0.00 H new ATOM 867 N ARG A 60 0.892 7.820 9.218 1.00 0.00 N ATOM 868 CA ARG A 60 1.468 8.570 8.114 1.00 0.00 C ATOM 869 C ARG A 60 0.414 9.484 7.503 1.00 0.00 C ATOM 870 O ARG A 60 0.699 10.631 7.154 1.00 0.00 O ATOM 871 CB ARG A 60 2.026 7.629 7.041 1.00 0.00 C ATOM 872 CG ARG A 60 2.921 8.338 6.034 1.00 0.00 C ATOM 873 CD ARG A 60 4.172 8.875 6.710 1.00 0.00 C ATOM 874 NE ARG A 60 4.946 9.765 5.842 1.00 0.00 N ATOM 875 CZ ARG A 60 6.253 9.995 5.985 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.958 9.320 6.886 1.00 0.00 N ATOM 877 NH2 ARG A 60 6.857 10.894 5.216 1.00 0.00 N ATOM 0 H ARG A 60 0.840 6.812 9.068 1.00 0.00 H new ATOM 0 HA ARG A 60 2.290 9.172 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.592 6.832 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.197 7.157 6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.200 7.647 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.374 9.157 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.889 9.413 7.615 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.800 8.039 7.019 1.00 0.00 H new ATOM 0 HE ARG A 60 4.457 10.238 5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.501 8.622 7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.957 9.500 6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.322 11.408 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.856 11.070 5.325 1.00 0.00 H new ATOM 891 N GLY A 61 -0.805 8.969 7.397 1.00 0.00 N ATOM 892 CA GLY A 61 -1.908 9.745 6.865 1.00 0.00 C ATOM 893 C GLY A 61 -2.223 10.954 7.719 1.00 0.00 C ATOM 894 O GLY A 61 -2.423 12.048 7.203 1.00 0.00 O ATOM 0 H GLY A 61 -1.050 8.018 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.666 10.070 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.793 9.113 6.793 1.00 0.00 H new ATOM 898 N GLU A 62 -2.252 10.767 9.032 1.00 0.00 N ATOM 899 CA GLU A 62 -2.533 11.864 9.951 1.00 0.00 C ATOM 900 C GLU A 62 -1.451 12.941 9.873 1.00 0.00 C ATOM 901 O GLU A 62 -1.747 14.135 9.939 1.00 0.00 O ATOM 902 CB GLU A 62 -2.648 11.344 11.385 1.00 0.00 C ATOM 903 CG GLU A 62 -3.756 10.321 11.583 1.00 0.00 C ATOM 904 CD GLU A 62 -3.851 9.842 13.018 1.00 0.00 C ATOM 905 OE1 GLU A 62 -2.950 9.105 13.461 1.00 0.00 O ATOM 906 OE2 GLU A 62 -4.829 10.203 13.710 1.00 0.00 O ATOM 0 H GLU A 62 -2.085 9.868 9.485 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.483 12.310 9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.698 10.897 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.822 12.187 12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.709 10.759 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.580 9.467 10.929 1.00 0.00 H new ATOM 913 N GLN A 63 -0.204 12.517 9.715 1.00 0.00 N ATOM 914 CA GLN A 63 0.910 13.457 9.689 1.00 0.00 C ATOM 915 C GLN A 63 0.997 14.182 8.349 1.00 0.00 C ATOM 916 O GLN A 63 1.148 15.399 8.306 1.00 0.00 O ATOM 917 CB GLN A 63 2.233 12.745 9.981 1.00 0.00 C ATOM 918 CG GLN A 63 3.394 13.710 10.170 1.00 0.00 C ATOM 919 CD GLN A 63 4.727 13.018 10.378 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.601 13.533 11.075 1.00 0.00 O ATOM 921 NE2 GLN A 63 4.907 11.858 9.765 1.00 0.00 N ATOM 0 H GLN A 63 0.061 11.538 9.604 1.00 0.00 H new ATOM 0 HA GLN A 63 0.727 14.196 10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.122 12.137 10.879 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.462 12.064 9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.463 14.359 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.188 14.350 11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.160 11.461 9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.793 11.362 9.863 1.00 0.00 H new ATOM 930 N GLU A 64 0.886 13.433 7.263 1.00 0.00 N ATOM 931 CA GLU A 64 1.075 13.991 5.923 1.00 0.00 C ATOM 932 C GLU A 64 -0.227 14.568 5.366 1.00 0.00 C ATOM 933 O GLU A 64 -0.234 15.207 4.312 1.00 0.00 O ATOM 934 CB GLU A 64 1.618 12.913 4.983 1.00 0.00 C ATOM 935 CG GLU A 64 2.924 12.295 5.451 1.00 0.00 C ATOM 936 CD GLU A 64 4.112 13.223 5.308 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.150 14.272 5.987 1.00 0.00 O ATOM 938 OE2 GLU A 64 5.018 12.903 4.512 1.00 0.00 O ATOM 0 H GLU A 64 0.666 12.437 7.278 1.00 0.00 H new ATOM 0 HA GLU A 64 1.795 14.806 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.871 12.126 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.766 13.347 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.825 12.002 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.112 11.385 4.881 1.00 0.00 H new ATOM 945 N GLY A 65 -1.325 14.316 6.061 1.00 0.00 N ATOM 946 CA GLY A 65 -2.607 14.857 5.661 1.00 0.00 C ATOM 947 C GLY A 65 -3.385 13.884 4.805 1.00 0.00 C ATOM 948 O GLY A 65 -4.438 13.386 5.213 1.00 0.00 O ATOM 0 H GLY A 65 -1.351 13.741 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.189 15.106 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.454 15.784 5.109 1.00 0.00 H new ATOM 952 N TRP A 66 -2.840 13.611 3.621 1.00 0.00 N ATOM 953 CA TRP A 66 -3.440 12.683 2.660 1.00 0.00 C ATOM 954 C TRP A 66 -4.879 13.066 2.318 1.00 0.00 C ATOM 955 O TRP A 66 -5.326 14.175 2.608 1.00 0.00 O ATOM 956 CB TRP A 66 -3.384 11.248 3.194 1.00 0.00 C ATOM 957 CG TRP A 66 -2.000 10.668 3.212 1.00 0.00 C ATOM 958 CD1 TRP A 66 -0.822 11.349 3.106 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.652 9.284 3.344 1.00 0.00 C ATOM 960 NE1 TRP A 66 0.234 10.477 3.164 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.246 9.205 3.310 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.387 8.103 3.486 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.435 7.996 3.417 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.709 6.903 3.591 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.309 6.858 3.554 1.00 0.00 C ATOM 0 H TRP A 66 -1.967 14.028 3.299 1.00 0.00 H new ATOM 0 HA TRP A 66 -2.857 12.744 1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.790 11.229 4.205 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.026 10.616 2.581 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -0.735 12.419 2.993 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.219 10.735 3.107 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.466 8.128 3.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.514 7.958 3.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.267 5.985 3.703 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.192 5.905 3.635 1.00 0.00 H new ATOM 976 N ASN A 67 -5.588 12.157 1.670 1.00 0.00 N ATOM 977 CA ASN A 67 -6.997 12.364 1.386 1.00 0.00 C ATOM 978 C ASN A 67 -7.825 11.738 2.492 1.00 0.00 C ATOM 979 O ASN A 67 -7.693 10.545 2.757 1.00 0.00 O ATOM 980 CB ASN A 67 -7.403 11.749 0.043 1.00 0.00 C ATOM 981 CG ASN A 67 -6.621 12.289 -1.135 1.00 0.00 C ATOM 982 OD1 ASN A 67 -6.904 13.374 -1.638 1.00 0.00 O ATOM 983 ND2 ASN A 67 -5.671 11.512 -1.620 1.00 0.00 N ATOM 0 H ASN A 67 -5.212 11.271 1.332 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.176 13.438 1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.268 10.669 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.465 11.930 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.142 11.805 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.466 10.618 -1.174 1.00 0.00 H new ATOM 990 N PRO A 68 -8.689 12.522 3.150 1.00 0.00 N ATOM 991 CA PRO A 68 -9.499 12.048 4.277 1.00 0.00 C ATOM 992 C PRO A 68 -10.300 10.794 3.938 1.00 0.00 C ATOM 993 O PRO A 68 -10.431 9.887 4.758 1.00 0.00 O ATOM 994 CB PRO A 68 -10.439 13.226 4.580 1.00 0.00 C ATOM 995 CG PRO A 68 -10.319 14.150 3.414 1.00 0.00 C ATOM 996 CD PRO A 68 -8.942 13.938 2.856 1.00 0.00 C ATOM 0 HA PRO A 68 -8.875 11.762 5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.467 12.885 4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.155 13.726 5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.081 13.934 2.665 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.460 15.186 3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.903 14.143 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.208 14.588 3.332 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.813 10.738 2.718 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.612 9.605 2.271 1.00 0.00 C ATOM 1006 C GLU A 69 -10.699 8.451 1.860 1.00 0.00 C ATOM 1007 O GLU A 69 -11.014 7.279 2.073 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.496 10.052 1.101 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.812 9.298 0.980 1.00 0.00 C ATOM 1010 CD GLU A 69 -13.689 8.004 0.207 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -13.416 8.067 -1.009 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -13.906 6.923 0.795 1.00 0.00 O ATOM 0 H GLU A 69 -10.690 11.468 2.016 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.249 9.254 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.710 11.115 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.937 9.932 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.193 9.082 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.546 9.938 0.490 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.540 8.801 1.318 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.588 7.815 0.817 1.00 0.00 C ATOM 1021 C PHE A 70 -7.888 7.082 1.958 1.00 0.00 C ATOM 1022 O PHE A 70 -7.740 5.863 1.916 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.563 8.499 -0.086 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.465 7.602 -0.579 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.723 6.620 -1.519 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.174 7.748 -0.102 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.713 5.797 -1.977 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.161 6.931 -0.555 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.429 5.954 -1.495 1.00 0.00 C ATOM 0 H PHE A 70 -9.234 9.768 1.213 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.139 7.072 0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.082 8.922 -0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.117 9.331 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.726 6.496 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.958 8.510 0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.927 5.033 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.157 7.054 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.635 5.314 -1.852 1.00 0.00 H new ATOM 1039 N THR A 71 -7.464 7.822 2.975 1.00 0.00 N ATOM 1040 CA THR A 71 -6.786 7.228 4.119 1.00 0.00 C ATOM 1041 C THR A 71 -7.684 6.198 4.805 1.00 0.00 C ATOM 1042 O THR A 71 -7.215 5.161 5.278 1.00 0.00 O ATOM 1043 CB THR A 71 -6.367 8.311 5.136 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.663 9.360 4.457 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.479 7.728 6.227 1.00 0.00 C ATOM 0 H THR A 71 -7.578 8.834 3.030 1.00 0.00 H new ATOM 0 HA THR A 71 -5.890 6.728 3.750 1.00 0.00 H new ATOM 0 HB THR A 71 -7.268 8.708 5.603 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.301 9.914 3.960 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.200 8.515 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.021 6.945 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.580 7.307 5.778 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.981 6.480 4.827 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.949 5.580 5.437 1.00 0.00 C ATOM 1055 C LYS A 72 -10.090 4.308 4.603 1.00 0.00 C ATOM 1056 O LYS A 72 -10.180 3.204 5.147 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.300 6.281 5.590 1.00 0.00 C ATOM 1058 CG LYS A 72 -12.322 5.493 6.401 1.00 0.00 C ATOM 1059 CD LYS A 72 -11.790 5.120 7.779 1.00 0.00 C ATOM 1060 CE LYS A 72 -11.311 6.340 8.556 1.00 0.00 C ATOM 1061 NZ LYS A 72 -12.410 7.296 8.859 1.00 0.00 N ATOM 0 H LYS A 72 -9.386 7.327 4.428 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.593 5.301 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.143 7.249 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.710 6.476 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.231 6.084 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.594 4.587 5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.572 4.614 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.967 4.413 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.851 6.014 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.538 6.851 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.029 8.106 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.834 7.631 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.137 6.820 9.431 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.096 4.472 3.280 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.103 3.344 2.362 1.00 0.00 C ATOM 1077 C LYS A 73 -8.938 2.412 2.662 1.00 0.00 C ATOM 1078 O LYS A 73 -9.127 1.230 2.946 1.00 0.00 O ATOM 1079 CB LYS A 73 -9.966 3.833 0.922 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.208 4.464 0.324 1.00 0.00 C ATOM 1081 CD LYS A 73 -10.856 5.252 -0.930 1.00 0.00 C ATOM 1082 CE LYS A 73 -12.071 5.533 -1.795 1.00 0.00 C ATOM 1083 NZ LYS A 73 -11.837 6.678 -2.719 1.00 0.00 N ATOM 0 H LYS A 73 -10.096 5.384 2.822 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.047 2.814 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.155 4.560 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.672 2.990 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.936 3.689 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.676 5.123 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.390 6.195 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.120 4.696 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.319 4.643 -2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.929 5.749 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.373 7.506 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.823 6.908 -2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.151 6.421 -3.677 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.736 2.971 2.609 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.516 2.190 2.771 1.00 0.00 C ATOM 1099 C VAL A 74 -6.476 1.513 4.137 1.00 0.00 C ATOM 1100 O VAL A 74 -6.021 0.376 4.260 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.254 3.065 2.600 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -3.989 2.221 2.664 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.310 3.841 1.295 1.00 0.00 C ATOM 0 H VAL A 74 -7.579 3.967 2.454 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.523 1.428 1.991 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.228 3.777 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.117 2.863 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.936 1.718 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.007 1.477 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.412 4.450 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.370 3.144 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.188 4.487 1.293 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.966 2.215 5.156 1.00 0.00 N ATOM 1114 CA ALA A 75 -7.022 1.670 6.509 1.00 0.00 C ATOM 1115 C ALA A 75 -7.838 0.382 6.545 1.00 0.00 C ATOM 1116 O ALA A 75 -7.513 -0.554 7.281 1.00 0.00 O ATOM 1117 CB ALA A 75 -7.605 2.693 7.474 1.00 0.00 C ATOM 0 H ALA A 75 -7.330 3.164 5.070 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.004 1.438 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.639 2.269 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.980 3.586 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.614 2.958 7.158 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.894 0.340 5.743 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.707 -0.854 5.650 1.00 0.00 C ATOM 1125 C GLY A 76 -8.994 -1.976 4.919 1.00 0.00 C ATOM 1126 O GLY A 76 -9.010 -3.126 5.366 1.00 0.00 O ATOM 0 H GLY A 76 -9.202 1.114 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.975 -1.188 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.637 -0.619 5.133 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.346 -1.638 3.805 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.644 -2.630 2.995 1.00 0.00 C ATOM 1132 C TRP A 77 -6.486 -3.224 3.783 1.00 0.00 C ATOM 1133 O TRP A 77 -6.334 -4.442 3.864 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.095 -2.012 1.707 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.067 -1.143 0.967 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.429 -1.236 0.955 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -7.731 -0.048 0.116 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -9.953 -0.252 0.153 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -8.933 0.484 -0.374 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -6.530 0.537 -0.275 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -8.971 1.571 -1.237 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -6.570 1.616 -1.129 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -7.782 2.126 -1.601 1.00 0.00 C ATOM 0 H TRP A 77 -8.293 -0.686 3.444 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.362 -3.408 2.736 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.212 -1.421 1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.768 -2.814 1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.007 -1.972 1.494 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -10.946 -0.097 -0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.587 0.153 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.908 1.962 -1.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.645 2.078 -1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -7.776 2.976 -2.267 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.681 -2.346 4.373 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.513 -2.762 5.133 1.00 0.00 C ATOM 1156 C ALA A 78 -4.919 -3.639 6.308 1.00 0.00 C ATOM 1157 O ALA A 78 -4.203 -4.568 6.673 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.735 -1.550 5.617 1.00 0.00 C ATOM 0 H ALA A 78 -5.820 -1.336 4.337 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.869 -3.348 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.864 -1.879 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.409 -0.961 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.373 -0.939 6.255 1.00 0.00 H new ATOM 1164 N GLU A 79 -6.079 -3.344 6.889 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.608 -4.144 7.984 1.00 0.00 C ATOM 1166 C GLU A 79 -6.808 -5.587 7.528 1.00 0.00 C ATOM 1167 O GLU A 79 -6.423 -6.525 8.221 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.929 -3.553 8.487 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.489 -4.253 9.713 1.00 0.00 C ATOM 1170 CD GLU A 79 -7.566 -4.162 10.913 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -7.618 -3.144 11.636 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -6.788 -5.106 11.143 1.00 0.00 O ATOM 0 H GLU A 79 -6.668 -2.557 6.618 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.892 -4.133 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.779 -2.499 8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.666 -3.601 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.454 -3.814 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.669 -5.302 9.477 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.389 -5.755 6.346 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.585 -7.081 5.766 1.00 0.00 C ATOM 1181 C LYS A 80 -6.239 -7.775 5.561 1.00 0.00 C ATOM 1182 O LYS A 80 -6.042 -8.931 5.957 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.303 -6.970 4.420 1.00 0.00 C ATOM 1184 CG LYS A 80 -9.667 -6.302 4.487 1.00 0.00 C ATOM 1185 CD LYS A 80 -10.657 -7.137 5.276 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.066 -6.577 5.171 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.046 -7.422 5.898 1.00 0.00 N ATOM 0 H LYS A 80 -7.734 -4.988 5.768 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.193 -7.668 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.671 -6.410 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.422 -7.970 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.570 -5.319 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.046 -6.144 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.644 -8.163 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.354 -7.170 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.087 -5.565 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.353 -6.507 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.996 -7.010 5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.044 -8.381 5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.786 -7.468 6.904 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.315 -7.045 4.947 1.00 0.00 N ATOM 1202 CA VAL A 81 -3.994 -7.564 4.619 1.00 0.00 C ATOM 1203 C VAL A 81 -3.230 -7.989 5.876 1.00 0.00 C ATOM 1204 O VAL A 81 -2.630 -9.066 5.914 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.167 -6.512 3.842 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -1.800 -7.056 3.464 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -3.914 -6.061 2.595 1.00 0.00 C ATOM 0 H VAL A 81 -5.461 -6.076 4.663 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.140 -8.442 3.990 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.022 -5.653 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.243 -6.294 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.254 -7.328 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.921 -7.937 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.317 -5.321 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.092 -6.919 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.868 -5.619 2.882 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.273 -7.147 6.903 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.557 -7.406 8.149 1.00 0.00 C ATOM 1219 C ALA A 82 -3.249 -8.482 8.983 1.00 0.00 C ATOM 1220 O ALA A 82 -2.588 -9.240 9.692 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.414 -6.123 8.952 1.00 0.00 C ATOM 0 H ALA A 82 -3.800 -6.273 6.897 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.565 -7.776 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.878 -6.331 9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.858 -5.389 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.403 -5.728 9.186 1.00 0.00 H new ATOM 1227 N SER A 83 -4.572 -8.555 8.899 1.00 0.00 N ATOM 1228 CA SER A 83 -5.319 -9.572 9.628 1.00 0.00 C ATOM 1229 C SER A 83 -5.215 -10.927 8.929 1.00 0.00 C ATOM 1230 O SER A 83 -5.651 -11.952 9.457 1.00 0.00 O ATOM 1231 CB SER A 83 -6.780 -9.148 9.789 1.00 0.00 C ATOM 1232 OG SER A 83 -6.864 -7.919 10.493 1.00 0.00 O ATOM 0 H SER A 83 -5.146 -7.927 8.337 1.00 0.00 H new ATOM 0 HA SER A 83 -4.883 -9.675 10.622 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.246 -9.045 8.809 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.332 -9.920 10.325 1.00 0.00 H new ATOM 0 HG SER A 83 -6.714 -7.176 9.872 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.657 -10.919 7.725 1.00 0.00 N ATOM 1239 CA GLY A 84 -4.322 -12.159 7.060 1.00 0.00 C ATOM 1240 C GLY A 84 -5.437 -12.683 6.187 1.00 0.00 C ATOM 1241 O GLY A 84 -5.562 -13.889 5.994 1.00 0.00 O ATOM 0 H GLY A 84 -4.431 -10.075 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.431 -12.008 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.072 -12.910 7.809 1.00 0.00 H new ATOM 1245 N ASN A 85 -6.258 -11.788 5.656 1.00 0.00 N ATOM 1246 CA ASN A 85 -7.304 -12.197 4.729 1.00 0.00 C ATOM 1247 C ASN A 85 -6.847 -11.923 3.313 1.00 0.00 C ATOM 1248 O ASN A 85 -5.827 -11.264 3.088 1.00 0.00 O ATOM 1249 CB ASN A 85 -8.628 -11.446 4.938 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.235 -11.555 6.334 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -10.455 -11.518 6.480 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -8.411 -11.677 7.364 1.00 0.00 N ATOM 0 H ASN A 85 -6.222 -10.787 5.848 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.481 -13.257 4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.466 -10.392 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.354 -11.818 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.784 -11.743 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.403 -11.705 7.210 1.00 0.00 H new ATOM 1259 N ARG A 86 -7.612 -12.410 2.361 1.00 0.00 N ATOM 1260 CA ARG A 86 -7.396 -12.071 0.975 1.00 0.00 C ATOM 1261 C ARG A 86 -8.639 -11.386 0.439 1.00 0.00 C ATOM 1262 O ARG A 86 -9.764 -11.842 0.662 1.00 0.00 O ATOM 1263 CB ARG A 86 -7.068 -13.311 0.159 1.00 0.00 C ATOM 1264 CG ARG A 86 -8.158 -14.355 0.188 1.00 0.00 C ATOM 1265 CD ARG A 86 -7.776 -15.559 -0.653 1.00 0.00 C ATOM 1266 NE ARG A 86 -8.881 -16.501 -0.813 1.00 0.00 N ATOM 1267 CZ ARG A 86 -8.828 -17.781 -0.443 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -7.739 -18.266 0.140 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -9.869 -18.574 -0.662 1.00 0.00 N ATOM 0 H ARG A 86 -8.393 -13.045 2.525 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.545 -11.394 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.883 -13.018 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.144 -13.751 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.341 -14.668 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.088 -13.926 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.445 -15.222 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.932 -16.069 -0.189 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.745 -16.159 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.937 -17.659 0.307 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.704 -19.246 0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.706 -18.204 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.832 -19.554 -0.380 1.00 0.00 H new ATOM 1283 N ILE A 87 -8.441 -10.283 -0.244 1.00 0.00 N ATOM 1284 CA ILE A 87 -9.554 -9.504 -0.749 1.00 0.00 C ATOM 1285 C ILE A 87 -9.599 -9.544 -2.267 1.00 0.00 C ATOM 1286 O ILE A 87 -8.567 -9.477 -2.938 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.492 -8.038 -0.262 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.122 -7.426 -0.565 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -9.796 -7.965 1.228 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.955 -6.010 -0.055 1.00 0.00 C ATOM 0 H ILE A 87 -7.521 -9.902 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.466 -9.954 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.246 -7.462 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.349 -8.054 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.962 -7.434 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.749 -6.927 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.794 -8.361 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.063 -8.555 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.959 -5.647 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.704 -5.366 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.081 -5.996 1.028 1.00 0.00 H new ATOM 1302 N LEU A 88 -10.798 -9.675 -2.801 1.00 0.00 N ATOM 1303 CA LEU A 88 -10.987 -9.731 -4.236 1.00 0.00 C ATOM 1304 C LEU A 88 -10.851 -8.336 -4.826 1.00 0.00 C ATOM 1305 O LEU A 88 -11.628 -7.436 -4.502 1.00 0.00 O ATOM 1306 CB LEU A 88 -12.362 -10.316 -4.574 1.00 0.00 C ATOM 1307 CG LEU A 88 -12.658 -10.470 -6.070 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -11.684 -11.449 -6.709 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -14.095 -10.923 -6.282 1.00 0.00 C ATOM 0 H LEU A 88 -11.659 -9.745 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.223 -10.378 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.449 -11.294 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.128 -9.679 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.530 -9.500 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.909 -11.546 -7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.665 -11.081 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -11.779 -12.423 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.290 -11.028 -7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.251 -11.883 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.776 -10.184 -5.860 1.00 0.00 H new ATOM 1321 N ILE A 89 -9.848 -8.149 -5.672 1.00 0.00 N ATOM 1322 CA ILE A 89 -9.637 -6.863 -6.304 1.00 0.00 C ATOM 1323 C ILE A 89 -10.633 -6.670 -7.447 1.00 0.00 C ATOM 1324 O ILE A 89 -10.405 -7.051 -8.593 1.00 0.00 O ATOM 1325 CB ILE A 89 -8.168 -6.672 -6.773 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -7.985 -5.288 -7.406 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -7.740 -7.778 -7.736 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -6.542 -4.942 -7.702 1.00 0.00 C ATOM 0 H ILE A 89 -9.174 -8.869 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.817 -6.088 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.523 -6.738 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.558 -5.243 -8.332 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.401 -4.534 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.707 -7.613 -8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.820 -8.745 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -8.386 -7.767 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.490 -3.949 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.968 -4.954 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.127 -5.674 -8.395 1.00 0.00 H new ATOM 1340 N LYS A 90 -11.765 -6.099 -7.076 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.895 -5.877 -7.972 1.00 0.00 C ATOM 1342 C LYS A 90 -12.595 -4.845 -9.058 1.00 0.00 C ATOM 1343 O LYS A 90 -13.430 -4.587 -9.922 1.00 0.00 O ATOM 1344 CB LYS A 90 -14.095 -5.427 -7.137 1.00 0.00 C ATOM 1345 CG LYS A 90 -13.785 -4.255 -6.210 1.00 0.00 C ATOM 1346 CD LYS A 90 -14.826 -4.127 -5.110 1.00 0.00 C ATOM 1347 CE LYS A 90 -14.406 -3.137 -4.030 1.00 0.00 C ATOM 1348 NZ LYS A 90 -14.142 -1.780 -4.574 1.00 0.00 N ATOM 0 H LYS A 90 -11.932 -5.769 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.108 -6.814 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.908 -5.146 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.449 -6.268 -6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.799 -4.392 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.749 -3.332 -6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.773 -3.807 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.996 -5.104 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.188 -3.076 -3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.509 -3.506 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.310 -1.070 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.154 -1.720 -4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.777 -1.599 -5.378 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.406 -4.261 -9.013 1.00 0.00 N ATOM 1363 CA ASN A 91 -11.030 -3.221 -9.961 1.00 0.00 C ATOM 1364 C ASN A 91 -9.516 -3.052 -10.037 1.00 0.00 C ATOM 1365 O ASN A 91 -8.925 -2.270 -9.293 1.00 0.00 O ATOM 1366 CB ASN A 91 -11.716 -1.889 -9.613 1.00 0.00 C ATOM 1367 CG ASN A 91 -11.827 -1.613 -8.112 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -12.811 -1.033 -7.659 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -10.826 -2.000 -7.332 1.00 0.00 N ATOM 0 H ASN A 91 -10.684 -4.490 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.374 -3.534 -10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.162 -1.075 -10.081 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.716 -1.884 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.861 -1.818 -6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.021 -2.480 -7.735 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.859 -3.823 -10.918 1.00 0.00 N ATOM 1377 CA PRO A 92 -7.426 -3.726 -11.160 1.00 0.00 C ATOM 1378 C PRO A 92 -7.094 -2.850 -12.371 1.00 0.00 C ATOM 1379 O PRO A 92 -6.076 -3.045 -13.029 1.00 0.00 O ATOM 1380 CB PRO A 92 -7.062 -5.182 -11.439 1.00 0.00 C ATOM 1381 CG PRO A 92 -8.272 -5.760 -12.115 1.00 0.00 C ATOM 1382 CD PRO A 92 -9.456 -4.897 -11.730 1.00 0.00 C ATOM 0 HA PRO A 92 -6.885 -3.267 -10.333 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.181 -5.254 -12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.832 -5.715 -10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.140 -5.771 -13.197 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.431 -6.792 -11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.963 -4.499 -12.609 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.196 -5.463 -11.164 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.957 -1.875 -12.644 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.828 -1.023 -13.826 1.00 0.00 C ATOM 1392 C GLU A 93 -6.506 -0.269 -13.854 1.00 0.00 C ATOM 1393 O GLU A 93 -5.743 -0.366 -14.813 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.980 -0.022 -13.874 1.00 0.00 C ATOM 1395 CG GLU A 93 -10.352 -0.671 -13.895 1.00 0.00 C ATOM 1396 CD GLU A 93 -10.552 -1.580 -15.091 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -10.901 -1.074 -16.172 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -10.369 -2.811 -14.948 1.00 0.00 O ATOM 0 H GLU A 93 -8.761 -1.653 -12.057 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.858 -1.677 -14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.913 0.637 -13.009 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.870 0.603 -14.760 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.491 -1.246 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.117 0.106 -13.903 1.00 0.00 H new ATOM 1405 N TYR A 94 -6.237 0.473 -12.795 1.00 0.00 N ATOM 1406 CA TYR A 94 -5.095 1.379 -12.772 1.00 0.00 C ATOM 1407 C TYR A 94 -3.912 0.764 -12.032 1.00 0.00 C ATOM 1408 O TYR A 94 -3.162 1.461 -11.346 1.00 0.00 O ATOM 1409 CB TYR A 94 -5.501 2.695 -12.109 1.00 0.00 C ATOM 1410 CG TYR A 94 -6.818 3.244 -12.615 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -7.002 3.536 -13.959 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -7.876 3.460 -11.747 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -8.205 4.031 -14.422 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -9.080 3.955 -12.200 1.00 0.00 C ATOM 1415 CZ TYR A 94 -9.239 4.241 -13.538 1.00 0.00 C ATOM 1416 OH TYR A 94 -10.440 4.738 -13.985 1.00 0.00 O ATOM 0 H TYR A 94 -6.791 0.469 -11.939 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.784 1.565 -13.800 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.569 2.544 -11.032 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.719 3.435 -12.279 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.191 3.374 -14.654 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.755 3.237 -10.697 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.334 4.252 -15.471 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.894 4.118 -11.510 1.00 0.00 H new ATOM 0 HH TYR A 94 -11.060 4.824 -13.231 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.743 -0.541 -12.171 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.605 -1.215 -11.573 1.00 0.00 C ATOM 1428 C PHE A 95 -1.726 -1.798 -12.671 1.00 0.00 C ATOM 1429 O PHE A 95 -1.847 -2.968 -13.033 1.00 0.00 O ATOM 1430 CB PHE A 95 -3.064 -2.298 -10.593 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.960 -2.823 -9.722 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -1.099 -1.950 -9.077 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -1.781 -4.184 -9.550 1.00 0.00 C ATOM 1434 CE1 PHE A 95 -0.078 -2.424 -8.278 1.00 0.00 C ATOM 1435 CE2 PHE A 95 -0.763 -4.665 -8.752 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.090 -3.786 -8.116 1.00 0.00 C ATOM 0 H PHE A 95 -4.376 -1.150 -12.689 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.020 -0.492 -11.004 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.854 -1.893 -9.960 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.498 -3.125 -11.155 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.228 -0.885 -9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.445 -4.877 -10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.587 -1.733 -7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.634 -5.730 -8.625 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.888 -4.162 -7.493 1.00 0.00 H new ATOM 1446 N SER A 96 -0.872 -0.949 -13.222 1.00 0.00 N ATOM 1447 CA SER A 96 -0.034 -1.302 -14.358 1.00 0.00 C ATOM 1448 C SER A 96 1.115 -2.225 -13.952 1.00 0.00 C ATOM 1449 O SER A 96 1.493 -2.289 -12.777 1.00 0.00 O ATOM 1450 CB SER A 96 0.524 -0.018 -14.965 1.00 0.00 C ATOM 1451 OG SER A 96 -0.419 1.034 -14.851 1.00 0.00 O ATOM 0 H SER A 96 -0.740 0.007 -12.893 1.00 0.00 H new ATOM 0 HA SER A 96 -0.641 -1.841 -15.085 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.449 0.258 -14.459 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.771 -0.182 -16.014 1.00 0.00 H new ATOM 0 HG SER A 96 -0.046 1.851 -15.243 1.00 0.00 H new ATOM 1457 N THR A 97 1.682 -2.916 -14.939 1.00 0.00 N ATOM 1458 CA THR A 97 2.821 -3.800 -14.717 1.00 0.00 C ATOM 1459 C THR A 97 3.991 -3.001 -14.163 1.00 0.00 C ATOM 1460 O THR A 97 4.798 -3.509 -13.392 1.00 0.00 O ATOM 1461 CB THR A 97 3.250 -4.497 -16.036 1.00 0.00 C ATOM 1462 OG1 THR A 97 3.798 -5.797 -15.768 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.289 -3.679 -16.804 1.00 0.00 C ATOM 0 H THR A 97 1.366 -2.879 -15.908 1.00 0.00 H new ATOM 0 HA THR A 97 2.524 -4.566 -14.001 1.00 0.00 H new ATOM 0 HB THR A 97 2.352 -4.587 -16.647 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.061 -6.221 -16.611 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.561 -4.204 -17.720 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.871 -2.704 -17.055 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.177 -3.545 -16.186 1.00 0.00 H new ATOM 1471 N TYR A 98 4.043 -1.739 -14.568 1.00 0.00 N ATOM 1472 CA TYR A 98 5.110 -0.825 -14.173 1.00 0.00 C ATOM 1473 C TYR A 98 5.338 -0.848 -12.662 1.00 0.00 C ATOM 1474 O TYR A 98 6.459 -1.058 -12.210 1.00 0.00 O ATOM 1475 CB TYR A 98 4.780 0.599 -14.636 1.00 0.00 C ATOM 1476 CG TYR A 98 5.894 1.594 -14.397 1.00 0.00 C ATOM 1477 CD1 TYR A 98 7.139 1.421 -14.986 1.00 0.00 C ATOM 1478 CD2 TYR A 98 5.701 2.701 -13.583 1.00 0.00 C ATOM 1479 CE1 TYR A 98 8.160 2.325 -14.772 1.00 0.00 C ATOM 1480 CE2 TYR A 98 6.719 3.612 -13.364 1.00 0.00 C ATOM 1481 CZ TYR A 98 7.947 3.419 -13.960 1.00 0.00 C ATOM 1482 OH TYR A 98 8.968 4.322 -13.747 1.00 0.00 O ATOM 0 H TYR A 98 3.345 -1.318 -15.181 1.00 0.00 H new ATOM 0 HA TYR A 98 6.030 -1.157 -14.653 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.546 0.579 -15.700 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.884 0.940 -14.118 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.312 0.565 -15.622 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.741 2.854 -13.113 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.122 2.176 -15.239 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.552 4.470 -12.729 1.00 0.00 H new ATOM 0 HH TYR A 98 8.655 5.035 -13.152 1.00 0.00 H new ATOM 1492 N MET A 99 4.271 -0.675 -11.892 1.00 0.00 N ATOM 1493 CA MET A 99 4.388 -0.611 -10.438 1.00 0.00 C ATOM 1494 C MET A 99 4.764 -1.967 -9.842 1.00 0.00 C ATOM 1495 O MET A 99 5.568 -2.034 -8.910 1.00 0.00 O ATOM 1496 CB MET A 99 3.097 -0.084 -9.811 1.00 0.00 C ATOM 1497 CG MET A 99 2.887 1.405 -10.049 1.00 0.00 C ATOM 1498 SD MET A 99 1.324 2.014 -9.386 1.00 0.00 S ATOM 1499 CE MET A 99 0.151 1.140 -10.417 1.00 0.00 C ATOM 0 H MET A 99 3.319 -0.577 -12.246 1.00 0.00 H new ATOM 0 HA MET A 99 5.194 0.085 -10.206 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.250 -0.635 -10.219 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.115 -0.276 -8.738 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.708 1.959 -9.594 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.923 1.604 -11.120 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.863 1.414 -10.126 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.314 1.408 -11.461 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.287 0.066 -10.292 1.00 0.00 H new ATOM 1509 N GLN A 100 4.197 -3.045 -10.384 1.00 0.00 N ATOM 1510 CA GLN A 100 4.562 -4.391 -9.946 1.00 0.00 C ATOM 1511 C GLN A 100 6.035 -4.649 -10.221 1.00 0.00 C ATOM 1512 O GLN A 100 6.768 -5.136 -9.362 1.00 0.00 O ATOM 1513 CB GLN A 100 3.743 -5.468 -10.665 1.00 0.00 C ATOM 1514 CG GLN A 100 2.272 -5.509 -10.297 1.00 0.00 C ATOM 1515 CD GLN A 100 1.603 -6.782 -10.784 1.00 0.00 C ATOM 1516 OE1 GLN A 100 2.008 -7.367 -11.787 1.00 0.00 O ATOM 1517 NE2 GLN A 100 0.582 -7.221 -10.072 1.00 0.00 N ATOM 0 H GLN A 100 3.491 -3.013 -11.119 1.00 0.00 H new ATOM 0 HA GLN A 100 4.354 -4.445 -8.877 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.829 -5.310 -11.740 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.183 -6.442 -10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.166 -5.434 -9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.766 -4.645 -10.727 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.277 -6.706 -9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.098 -8.075 -10.348 1.00 0.00 H new ATOM 1526 N GLU A 101 6.454 -4.300 -11.426 1.00 0.00 N ATOM 1527 CA GLU A 101 7.799 -4.573 -11.893 1.00 0.00 C ATOM 1528 C GLU A 101 8.832 -3.776 -11.097 1.00 0.00 C ATOM 1529 O GLU A 101 9.929 -4.268 -10.834 1.00 0.00 O ATOM 1530 CB GLU A 101 7.882 -4.259 -13.386 1.00 0.00 C ATOM 1531 CG GLU A 101 9.118 -4.802 -14.071 1.00 0.00 C ATOM 1532 CD GLU A 101 8.978 -4.811 -15.577 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.329 -3.802 -16.217 1.00 0.00 O ATOM 1534 OE2 GLU A 101 8.509 -5.831 -16.130 1.00 0.00 O ATOM 0 H GLU A 101 5.868 -3.818 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 101 8.027 -5.628 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.999 -4.665 -13.880 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.853 -3.178 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.981 -4.198 -13.791 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.311 -5.816 -13.719 1.00 0.00 H new ATOM 1541 N GLN A 102 8.474 -2.553 -10.701 1.00 0.00 N ATOM 1542 CA GLN A 102 9.340 -1.740 -9.847 1.00 0.00 C ATOM 1543 C GLN A 102 9.619 -2.461 -8.536 1.00 0.00 C ATOM 1544 O GLN A 102 10.771 -2.610 -8.125 1.00 0.00 O ATOM 1545 CB GLN A 102 8.699 -0.383 -9.549 1.00 0.00 C ATOM 1546 CG GLN A 102 8.578 0.525 -10.760 1.00 0.00 C ATOM 1547 CD GLN A 102 7.852 1.818 -10.447 1.00 0.00 C ATOM 1548 OE1 GLN A 102 6.631 1.898 -10.548 1.00 0.00 O ATOM 1549 NE2 GLN A 102 8.602 2.843 -10.072 1.00 0.00 N ATOM 0 H GLN A 102 7.594 -2.106 -10.957 1.00 0.00 H new ATOM 0 HA GLN A 102 10.276 -1.579 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.706 -0.546 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.288 0.125 -8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.574 0.754 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.048 -0.002 -11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.614 2.735 -10.000 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.168 3.740 -9.855 1.00 0.00 H new ATOM 1558 N LEU A 103 8.549 -2.915 -7.889 1.00 0.00 N ATOM 1559 CA LEU A 103 8.657 -3.628 -6.624 1.00 0.00 C ATOM 1560 C LEU A 103 9.375 -4.957 -6.821 1.00 0.00 C ATOM 1561 O LEU A 103 10.269 -5.306 -6.056 1.00 0.00 O ATOM 1562 CB LEU A 103 7.265 -3.868 -6.028 1.00 0.00 C ATOM 1563 CG LEU A 103 6.471 -2.600 -5.708 1.00 0.00 C ATOM 1564 CD1 LEU A 103 5.074 -2.954 -5.226 1.00 0.00 C ATOM 1565 CD2 LEU A 103 7.196 -1.765 -4.663 1.00 0.00 C ATOM 0 H LEU A 103 7.593 -2.800 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 103 9.237 -3.016 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.687 -4.474 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.373 -4.451 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 103 6.384 -2.011 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.524 -2.040 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.551 -3.512 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.144 -3.564 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.616 -0.867 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.314 -2.348 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.178 -1.481 -5.042 1.00 0.00 H new ATOM 1577 N LYS A 104 8.987 -5.676 -7.866 1.00 0.00 N ATOM 1578 CA LYS A 104 9.566 -6.976 -8.179 1.00 0.00 C ATOM 1579 C LYS A 104 11.079 -6.869 -8.363 1.00 0.00 C ATOM 1580 O LYS A 104 11.836 -7.712 -7.876 1.00 0.00 O ATOM 1581 CB LYS A 104 8.910 -7.539 -9.445 1.00 0.00 C ATOM 1582 CG LYS A 104 9.359 -8.945 -9.804 1.00 0.00 C ATOM 1583 CD LYS A 104 8.593 -9.487 -11.001 1.00 0.00 C ATOM 1584 CE LYS A 104 9.053 -10.888 -11.373 1.00 0.00 C ATOM 1585 NZ LYS A 104 10.470 -10.908 -11.822 1.00 0.00 N ATOM 0 H LYS A 104 8.264 -5.375 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 104 9.378 -7.653 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.828 -7.538 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.129 -6.875 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.426 -8.942 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.213 -9.604 -8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.527 -9.502 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.729 -8.821 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.936 -11.548 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.416 -11.280 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.689 -11.835 -12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.619 -10.164 -12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.095 -10.739 -11.008 1.00 0.00 H new ATOM 1599 N GLU A 105 11.514 -5.823 -9.055 1.00 0.00 N ATOM 1600 CA GLU A 105 12.933 -5.598 -9.301 1.00 0.00 C ATOM 1601 C GLU A 105 13.650 -5.225 -8.005 1.00 0.00 C ATOM 1602 O GLU A 105 14.676 -5.811 -7.662 1.00 0.00 O ATOM 1603 CB GLU A 105 13.118 -4.479 -10.326 1.00 0.00 C ATOM 1604 CG GLU A 105 14.529 -4.379 -10.884 1.00 0.00 C ATOM 1605 CD GLU A 105 14.843 -5.497 -11.856 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.294 -6.573 -11.414 1.00 0.00 O ATOM 1607 OE2 GLU A 105 14.624 -5.303 -13.072 1.00 0.00 O ATOM 0 H GLU A 105 10.901 -5.114 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 105 13.363 -6.521 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.423 -4.637 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.853 -3.528 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.652 -3.419 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.245 -4.403 -10.062 1.00 0.00 H new ATOM 1614 N LEU A 106 13.082 -4.257 -7.286 1.00 0.00 N ATOM 1615 CA LEU A 106 13.698 -3.722 -6.071 1.00 0.00 C ATOM 1616 C LEU A 106 13.818 -4.804 -4.997 1.00 0.00 C ATOM 1617 O LEU A 106 14.857 -4.935 -4.351 1.00 0.00 O ATOM 1618 CB LEU A 106 12.876 -2.527 -5.555 1.00 0.00 C ATOM 1619 CG LEU A 106 13.535 -1.670 -4.464 1.00 0.00 C ATOM 1620 CD1 LEU A 106 12.939 -0.272 -4.471 1.00 0.00 C ATOM 1621 CD2 LEU A 106 13.358 -2.298 -3.090 1.00 0.00 C ATOM 0 H LEU A 106 12.190 -3.825 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 106 14.705 -3.381 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.641 -1.882 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.929 -2.904 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 106 14.602 -1.612 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.412 0.329 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.110 0.191 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.867 -0.332 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.835 -1.669 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.295 -2.389 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.817 -3.287 -3.080 1.00 0.00 H new ATOM 1633 N VAL A 107 12.759 -5.581 -4.811 1.00 0.00 N ATOM 1634 CA VAL A 107 12.773 -6.649 -3.819 1.00 0.00 C ATOM 1635 C VAL A 107 13.758 -7.742 -4.227 1.00 0.00 C ATOM 1636 O VAL A 107 14.388 -8.373 -3.377 1.00 0.00 O ATOM 1637 CB VAL A 107 11.361 -7.254 -3.616 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.402 -8.435 -2.656 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.397 -6.194 -3.105 1.00 0.00 C ATOM 0 H VAL A 107 11.885 -5.493 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 107 13.093 -6.216 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 107 11.009 -7.614 -4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.397 -8.839 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.057 -9.208 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.781 -8.105 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.410 -6.636 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.756 -5.805 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.333 -5.381 -3.828 1.00 0.00 H new ATOM 1649 N LEU A 108 13.900 -7.944 -5.533 1.00 0.00 N ATOM 1650 CA LEU A 108 14.813 -8.952 -6.053 1.00 0.00 C ATOM 1651 C LEU A 108 16.267 -8.577 -5.775 1.00 0.00 C ATOM 1652 O LEU A 108 16.991 -9.323 -5.115 1.00 0.00 O ATOM 1653 CB LEU A 108 14.618 -9.136 -7.556 1.00 0.00 C ATOM 1654 CG LEU A 108 15.466 -10.240 -8.183 1.00 0.00 C ATOM 1655 CD1 LEU A 108 14.971 -11.610 -7.751 1.00 0.00 C ATOM 1656 CD2 LEU A 108 15.466 -10.114 -9.695 1.00 0.00 C ATOM 0 H LEU A 108 13.394 -7.423 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 108 14.587 -9.888 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.567 -9.352 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.846 -8.194 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 108 16.492 -10.129 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.590 -12.382 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.032 -11.693 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.936 -11.739 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.075 -10.908 -10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.445 -10.197 -10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.878 -9.146 -9.979 1.00 0.00 H new ATOM 1668 N GLU A 109 16.695 -7.422 -6.281 1.00 0.00 N ATOM 1669 CA GLU A 109 18.084 -7.001 -6.128 1.00 0.00 C ATOM 1670 C GLU A 109 18.376 -6.618 -4.678 1.00 0.00 C ATOM 1671 O GLU A 109 19.493 -6.812 -4.191 1.00 0.00 O ATOM 1672 CB GLU A 109 18.428 -5.865 -7.110 1.00 0.00 C ATOM 1673 CG GLU A 109 17.488 -4.664 -7.077 1.00 0.00 C ATOM 1674 CD GLU A 109 17.937 -3.574 -6.128 1.00 0.00 C ATOM 1675 OE1 GLU A 109 18.943 -2.902 -6.426 1.00 0.00 O ATOM 1676 OE2 GLU A 109 17.295 -3.388 -5.080 1.00 0.00 O ATOM 0 H GLU A 109 16.106 -6.767 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 109 18.730 -7.843 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 109 19.440 -5.519 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.435 -6.272 -8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.405 -4.249 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.492 -5.000 -6.788 1.00 0.00 H new ATOM 1683 N HIS A 110 17.366 -6.075 -3.998 1.00 0.00 N ATOM 1684 CA HIS A 110 17.426 -5.830 -2.556 1.00 0.00 C ATOM 1685 C HIS A 110 18.598 -4.910 -2.193 1.00 0.00 C ATOM 1686 O HIS A 110 19.033 -4.867 -1.040 1.00 0.00 O ATOM 1687 CB HIS A 110 17.541 -7.179 -1.829 1.00 0.00 C ATOM 1688 CG HIS A 110 17.272 -7.119 -0.358 1.00 0.00 C ATOM 1689 ND1 HIS A 110 18.129 -7.633 0.589 1.00 0.00 N ATOM 1690 CD2 HIS A 110 16.219 -6.618 0.323 1.00 0.00 C ATOM 1691 CE1 HIS A 110 17.614 -7.449 1.790 1.00 0.00 C ATOM 1692 NE2 HIS A 110 16.453 -6.835 1.658 1.00 0.00 N ATOM 0 H HIS A 110 16.486 -5.793 -4.429 1.00 0.00 H new ATOM 0 HA HIS A 110 16.515 -5.321 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 110 16.844 -7.883 -2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 110 18.544 -7.577 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.352 -6.135 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 110 18.066 -7.750 2.723 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.832 -6.566 2.422 1.00 0.00 H new TER 1701 HIS A 110